data_2ju1_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 2ju1 _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 ' 14' ' ' ARG . . . . . 0.418 ' HA ' ' NH1' ' A' ' 17' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.11 -76.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -39.73 -42.4 1.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.418 ' NH1' ' HA ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -59.15 -55.31 36.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 m -60.71 -46.73 89.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.381 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.32 -17.98 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -87.35 -56.73 3.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -39.37 77.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.467 HG23 ' CB ' ' A' ' 87' ' ' ALA . 9.8 t -54.22 -62.19 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.89 -43.01 13.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tt -67.95 -49.87 59.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.6 t -52.86 -45.66 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -56.2 -65.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -54.37 -46.04 72.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.2 t -58.74 -52.55 65.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.573 HG22 ' CZ ' ' A' ' 52' ' ' PHE . 53.8 m -49.21 -57.4 6.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.436 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.64 -29.36 67.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -37.57 86.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.572 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER -57.42 -30.84 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -74.92 -15.44 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.31 44.17 5.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -160.21 138.72 10.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.626 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -99.14 66.65 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -133.04 100.99 13.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -14.49 21.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.77 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -64.33 -12.53 43.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.23 28.0 4.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.8 p -163.73 148.15 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.427 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 13.6 mtp180 -138.11 23.11 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.366 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 42' ' ' ARG . . . 78.46 -54.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.468 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 6.4 m -93.31 39.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -95.98 159.47 32.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.403 ' N ' HG23 ' A' ' 45' ' ' THR . 18.3 Cg_endo -74.96 109.87 3.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' A' ' 48' ' ' LYS . 6.7 p90 -58.85 -45.26 90.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.643 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 10.5 tptt -52.9 -41.42 64.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.54 -40.31 80.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 47' ' ' PHE . 63.7 mt -49.6 -35.1 19.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.44 45.16 0.8 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.573 ' CZ ' HG22 ' A' ' 29' ' ' THR . 26.1 m-85 -111.17 134.89 52.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.746 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.18 -77.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 58' ' ' VAL . 12.2 m -129.45 -63.91 0.92 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.14 -54.32 45.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.96 -22.08 62.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.1 -28.65 43.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' SER . 0.9 OUTLIER -88.48 -42.21 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.465 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -50.05 -38.4 37.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 tp -73.76 -50.0 22.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -56.65 -32.87 65.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -65.61 -43.35 89.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.68 -42.66 58.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.472 ' CB ' HD11 ' A' ' 72' ' ' LEU . 9.2 mt -57.73 -17.79 17.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.413 ' ND2' ' HG3' ' A' ' 71' ' ' ARG . 26.5 t-20 -60.9 -35.31 76.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.37 13.33 11.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.76 0.45 9.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.458 ' CG2' ' HG ' ' A' ' 90' ' ' LEU . 4.5 p -140.62 -50.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.36 -19.65 8.07 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.406 ' O ' ' CG ' ' A' ' 65' ' ' ASN . 0.5 OUTLIER -107.73 -169.59 1.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 0.739 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -101.71 4.66 40.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.476 ' O ' ' O ' ' A' ' 71' ' ' ARG . 14.6 mt 55.74 159.78 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 72' ' ' LEU . 18.5 Cg_endo -74.9 143.09 28.98 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 111.035 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.0 m -63.2 -19.05 64.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.949 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.7 p -90.41 -7.41 53.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.46 HD11 ' CG2' ' A' ' 77' ' ' VAL . 1.3 pp -48.42 -44.18 34.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.535 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 54.3 t -90.25 36.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.97 -43.87 0.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.57 -16.68 38.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.691 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -93.9 111.8 54.43 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.625 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -29.58 8.18 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.772 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.468 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 3.6 m-80 -146.87 173.75 12.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -60.02 -48.03 83.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.68 -32.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.19 -50.08 12.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.691 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 55.6 t -46.33 -47.74 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.467 ' CB ' HG23 ' A' ' 22' ' ' VAL . . . -48.78 -41.21 31.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -67.11 -66.92 2.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.06 -40.34 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.458 ' HG ' ' CG2' ' A' ' 68' ' ' THR . 6.7 mp -71.21 -43.1 68.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 88' ' ' GLY . 12.3 t0 -59.44 -48.69 80.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.2 -32.35 68.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.63 -24.53 49.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.7 mt -86.62 -25.66 24.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 18' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.11 -53.22 10.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -61.62 -54.14 46.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -24.87 42.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ARG . 93.0 m -88.48 -33.38 17.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.425 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.5 -38.83 48.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 21' ' ' LEU . 6.8 pt-20 -57.59 -32.99 67.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.419 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -75.56 -47.43 26.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 26' ' ' ARG . 16.7 t -49.72 -65.91 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.09 -41.57 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.5 OUTLIER -71.77 -44.7 63.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.452 HG11 ' CB ' ' A' ' 83' ' ' ALA . 43.7 t -62.88 -32.14 54.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 43' ' ' ALA . 4.6 mtp85 -70.63 -56.34 6.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.467 ' O ' ' CB ' ' A' ' 31' ' ' THR . 8.2 m -68.65 -29.25 67.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 16.1 t -66.13 -46.44 77.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.1 m -67.37 -59.02 3.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.63 -38.44 46.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' ' 27' ' ' THR . 2.5 m -62.36 -40.56 96.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.388 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 28' ' ' SER . 48.1 t -57.38 -17.88 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.591 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 1.2 mm? -103.43 28.41 6.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . 35.14 54.25 0.91 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 33' ' ' LEU . 57.9 m-70 -149.15 118.16 6.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.594 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.82 66.88 3.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -155.46 90.3 2.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.416 ' C ' ' N ' ' A' ' 40' ' ' ALA . 18.5 Cg_endo -74.96 -13.75 21.42 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.437 1.756 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.74 -25.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 38' ' ' PRO . . . -87.78 43.32 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.464 ' CG1' ' NH2' ' A' ' 26' ' ' ARG . 47.3 t -154.82 150.75 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 44' ' ' THR . 12.7 mtt180 -138.13 38.59 2.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 26' ' ' ARG . . . 70.33 -58.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 42' ' ' ARG . 82.1 p -96.64 44.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.75 148.14 40.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 109.74 2.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.545 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 2.4 p90 -58.67 -31.16 67.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.532 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 1.4 tmtt? -56.96 -33.29 66.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -76.44 -0.71 23.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.08 25.11 11.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.55 78.54 0.1 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.593 ' CE2' ' O ' ' A' ' 56' ' ' ALA . 1.0 OUTLIER -144.96 145.44 31.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 111.04 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -157.45 -80.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -120.77 -64.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.964 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.09 -63.02 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.593 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -59.52 -33.67 71.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.381 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.83 -29.11 68.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.5 t -84.33 -34.03 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -62.16 -34.88 77.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.243 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' LEU . 30.9 tp -69.59 -61.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.15 -45.38 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -57.55 -41.37 80.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 60' ' ' LEU . 2.8 tt -73.41 -51.28 17.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 67' ' ' ALA . 6.4 mt -46.53 -25.79 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 63' ' ' LEU . 4.4 t-20 -53.68 -29.03 36.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.83 -23.6 41.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.468 ' CB ' HD22 ' A' ' 24' ' ' LEU . . . -81.08 -27.95 35.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.473 ' CG2' HD21 ' A' ' 90' ' ' LEU . 2.2 p -130.78 -69.17 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.34 12.96 29.77 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.448 ' CD2' ' HB ' ' A' ' 68' ' ' THR . 1.9 pp -97.32 -171.9 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 72' ' ' LEU . 4.3 mtt180 -88.63 63.67 7.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.532 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -40.12 151.41 0.24 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.49 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.01 146.64 32.85 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.436 1.756 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -74.35 -21.99 59.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 78' ' ' PHE . 69.7 p -90.88 1.39 57.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 75' ' ' THR . 1.4 tp -38.43 -60.9 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.511 HG11 ' CE1' ' A' ' 47' ' ' PHE . 82.7 t -84.31 45.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.467 ' N ' ' O ' ' A' ' 75' ' ' THR . 1.1 t80 -153.11 -42.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -93.99 -11.58 30.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.691 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -100.88 131.46 23.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.574 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.464 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -74.98 -45.78 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.459 1.768 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.612 ' N ' ' HD1' ' A' ' 80' ' ' HIS . 0.5 OUTLIER -144.23 175.73 9.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.514 ' CB ' ' NH1' ' A' ' 26' ' ' ARG . . . -57.95 -44.4 86.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.1 -37.51 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.038 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -76.92 -47.69 20.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.691 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 75.1 t -43.99 -43.41 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.75 -54.66 21.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.68 -65.48 3.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.49 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -39.78 -34.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 0.0 111.02 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.532 ' CD2' ' CD2' ' A' ' 72' ' ' LEU . 22.9 mt -82.18 -50.72 8.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -53.21 -47.97 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.34 -37.05 71.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.75 -21.43 57.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.9 mt -87.07 -26.91 23.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 O-C-N 124.455 1.097 . . . . 0.0 110.949 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 18' ' ' THR . 2.4 ttt85 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 18' ' ' THR . . . -41.29 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.31 -40.39 16.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.417 ' O ' ' CD2' ' A' ' 21' ' ' LEU . 11.0 tpp85 -61.44 -32.58 72.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 14' ' ' ARG . 56.4 m -80.67 -41.1 24.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.33 -39.42 71.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -66.91 -38.71 86.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.417 ' CD2' ' O ' ' A' ' 17' ' ' ARG . 1.2 mm? -56.47 -46.62 80.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.419 HG23 ' CB ' ' A' ' 87' ' ' ALA . 21.8 t -62.97 -63.97 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -45.31 -36.1 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.266 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.6 tt -70.65 -55.69 8.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.469 HG22 ' CG1' ' A' ' 86' ' ' VAL . 24.2 t -49.37 -55.04 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -43.71 -71.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.2 p -53.29 -49.71 66.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.8 t -49.46 -45.57 46.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.5 m -64.38 -60.83 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.408 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.08 -35.52 47.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.6 m -58.79 -33.86 70.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.365 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.9 t -62.34 -33.88 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -75.23 -13.25 60.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.68 49.79 4.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.11 169.7 20.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.629 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -139.28 58.49 1.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.35 79.3 66.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.42 18.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.16 -12.6 52.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.87 -6.25 17.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.4 t -109.96 138.73 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.75 173.66 6.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.66 -20.61 23.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -111.59 35.38 3.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -100.78 147.89 34.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.383 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.5 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.1 Cg_endo -74.99 106.54 2.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.558 1.82 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.574 ' CE2' ' O ' ' A' ' 77' ' ' VAL . 18.1 p90 -48.77 -25.34 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -29.19 62.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -81.05 -10.54 59.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.71 28.3 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 39.36 67.2 0.63 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.545 ' CD1' ' HB2' ' A' ' 56' ' ' ALA . 0.6 OUTLIER -125.06 148.99 48.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 0.767 . . . . 0.0 111.006 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -157.62 -85.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' VAL . 22.5 m -117.73 -64.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -63.98 0.96 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.545 ' HB2' ' CD1' ' A' ' 52' ' ' PHE . . . -54.54 -36.6 64.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.41 -25.79 65.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.7 t -81.81 -54.32 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -56.02 -23.99 36.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.11 -62.11 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.68 -38.13 2.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -53.19 -53.23 53.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tt -67.3 -36.61 81.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 mt -51.52 -45.17 62.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -59.55 -22.74 62.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.05 -20.84 28.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.76 -39.0 90.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.7 p -107.85 -41.21 5.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.383 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.78 2.23 39.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 93' ' ' GLU . 0.8 OUTLIER -111.27 -168.09 1.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -101.39 107.5 18.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.474 ' CD2' ' HD2' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -107.32 169.18 7.0 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.481 ' O ' ' CD1' ' A' ' 76' ' ' LEU . 18.2 Cg_endo -74.97 165.35 31.52 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.8 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.4 p -118.24 -1.4 11.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.8 p -90.14 -23.76 21.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.442 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -45.87 -35.49 4.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.574 ' O ' ' CE2' ' A' ' 47' ' ' PHE . 2.3 t -49.92 -22.57 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.403 ' N ' ' C ' ' A' ' 76' ' ' LEU . 9.2 t80 -105.41 -21.14 13.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -93.58 -3.85 51.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.545 ' CE1' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -108.29 121.02 44.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.621 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.47 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -75.0 -35.83 2.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.409 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -146.56 163.77 34.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.42 -46.15 56.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.31 -42.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.47 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -65.34 -54.9 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.545 HG23 ' CE1' ' A' ' 80' ' ' HIS . 6.8 t -45.77 -43.51 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.419 ' CB ' HG23 ' A' ' 22' ' ' VAL . . . -49.59 -51.5 36.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -59.02 -68.14 1.83 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.456 1.098 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.5 -32.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 94' ' ' LEU . 8.4 mp -85.91 -46.05 10.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.465 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 1.1 t70 -63.33 -19.71 64.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -90.29 -29.88 17.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.484 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 3.2 mm-40 -89.4 -18.87 25.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' A' ' 91' ' ' ASP . 0.3 OUTLIER -87.23 -29.09 21.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.13 . . . . 0.0 110.989 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.56 -65.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLU . 9.1 tm-20 -53.94 -41.05 67.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -58.5 -51.87 68.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -63.5 -45.52 90.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.02 -22.48 64.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -75.1 -41.76 58.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -64.78 -35.05 79.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 87' ' ' ALA . 16.9 t -73.69 -70.98 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.32 -29.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 67' ' ' ALA . 19.7 tp -78.71 -50.39 11.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.4 t -54.02 -45.42 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.5 ' CZ ' ' HA ' ' A' ' 43' ' ' ALA . 2.5 ttm-85 -54.02 -61.53 2.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 m -57.08 -48.82 77.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.415 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.6 m -52.79 -45.48 67.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.958 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.467 HG22 ' CE2' ' A' ' 52' ' ' PHE . 64.6 m -61.39 -70.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.421 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.4 -38.16 8.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.0 m -54.8 -34.28 62.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.469 ' CG2' HD23 ' A' ' 60' ' ' LEU . 58.4 t -61.95 -39.89 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -73.11 -19.88 61.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.45 47.89 2.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -149.81 167.22 27.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.593 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -141.33 65.35 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.66 65.37 46.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -19.33 17.96 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -23.36 67.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.5 3.38 54.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.0 t -122.08 128.59 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.449 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -80.07 -174.88 4.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.5 ' HA ' ' CZ ' ' A' ' 26' ' ' ARG . . . -92.68 -21.3 20.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -104.87 35.45 2.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.39 148.54 47.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.416 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.5 4.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.507 1.793 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.639 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -62.88 -34.71 77.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.44 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 9.1 tttt -56.99 -27.59 61.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -78.13 -2.95 39.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.223 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 51' ' ' GLY . 2.0 mp -104.77 31.08 4.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 34.61 72.65 0.1 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.467 ' CE2' HG22 ' A' ' 29' ' ' THR . 2.2 m-30 -117.94 131.3 56.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.45 ' C ' ' N ' ' A' ' 55' ' ' LEU . 12.6 m-20 -145.25 175.57 10.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' ASP . 4.5 m -39.32 -29.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.043 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.45 ' N ' ' C ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -78.8 -62.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -57.09 -40.66 77.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.71 -34.91 78.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.6 t -71.6 -41.37 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -25.22 56.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.469 HD23 ' CG2' ' A' ' 32' ' ' VAL . 0.4 OUTLIER -77.45 -55.4 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.55 -35.38 20.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -59.36 -35.66 74.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.19 -43.5 19.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.444 HD13 ' CD1' ' A' ' 60' ' ' LEU . 3.5 mt -49.54 -32.81 13.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 69' ' ' GLY . 18.0 m120 -53.42 -25.08 14.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.92 -25.88 43.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.462 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . . . -82.43 -18.95 40.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.441 ' CG2' ' HG ' ' A' ' 90' ' ' LEU . 1.8 p -132.7 -74.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 105.84 12.88 25.08 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.426 ' CD2' ' HB3' ' A' ' 93' ' ' GLU . 4.0 pp -109.99 -164.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.0 mmt85 -93.48 74.73 4.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.3 mt -53.38 160.38 1.83 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 151.23 39.36 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 m -79.88 -19.7 47.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 78' ' ' PHE . 39.5 p -90.44 -2.51 57.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 80' ' ' HIS . 8.1 tt -40.96 -51.6 3.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.581 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . 57.8 t -87.73 44.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.461 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -155.62 -41.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.28 3.1 53.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.639 ' CE1' ' CG ' ' A' ' 47' ' ' PHE . 2.1 p-80 -104.44 107.46 57.83 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.633 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -14.12 21.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -160.22 176.36 11.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.06 -49.39 36.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.97 -30.75 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.961 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.03 -51.74 29.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.478 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 54.0 t -53.29 -47.2 57.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.459 ' HB2' ' CG2' ' A' ' 22' ' ' VAL . . . -47.09 -45.08 21.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.68 -64.74 3.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.54 -34.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 0.737 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.441 ' HG ' ' CG2' ' A' ' 68' ' ' THR . 2.5 mp -78.86 -46.27 18.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -57.07 -47.17 81.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.33 -34.26 76.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.426 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 3.6 mm-40 -74.25 -25.83 59.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.41 ' CD1' HG21 ' A' ' 68' ' ' THR . 18.0 mt -88.75 -23.54 22.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.03 -52.91 18.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -64.05 -37.07 86.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.6 tpp85 -59.7 -52.68 64.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.4 m -63.74 -46.0 87.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.438 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.55 -26.06 66.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' GLU . 23.0 tt0 -76.37 -50.89 13.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -42.16 92.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.452 HG22 ' CB ' ' A' ' 87' ' ' ALA . 7.2 t -50.32 -66.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 ttt85 -49.16 -32.79 10.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 67' ' ' ALA . 0.8 OUTLIER -70.84 -57.28 4.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.467 HG11 ' CG1' ' A' ' 86' ' ' VAL . 66.6 t -48.86 -37.18 8.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.438 ' NE ' ' O ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -63.44 -76.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.473 ' O ' ' CB ' ' A' ' 31' ' ' THR . 1.6 p -45.43 -46.41 13.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.5 p -51.08 -48.03 61.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.556 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 85.0 m -62.47 -65.78 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.427 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.83 -25.64 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.473 ' CB ' ' O ' ' A' ' 27' ' ' THR . 1.8 m -71.64 -33.62 69.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.376 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.57 HG13 ' CZ ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -62.99 -29.75 47.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -70.61 -26.27 63.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.86 28.97 6.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -136.84 150.84 48.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.592 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -126.27 55.8 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.57 84.21 51.57 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -21.4 15.94 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -43.03 -32.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.471 ' O ' ' CG2' ' A' ' 41' ' ' VAL . . . -104.58 52.32 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 40' ' ' ALA . 91.3 t -156.31 140.27 8.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.438 ' O ' ' NE ' ' A' ' 26' ' ' ARG . 28.4 mtt180 -106.02 -174.08 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.33 -22.2 16.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.8 p -116.14 36.56 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.385 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.57 142.64 26.07 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.448 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.3 Cg_endo -75.02 129.54 12.41 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.458 ' CE2' HG22 ' A' ' 29' ' ' THR . 3.8 m-85 -68.99 -24.39 64.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -19.82 27.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -99.81 -21.47 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 31.6 mt -67.29 -26.16 66.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.65 65.19 0.7 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.448 1.092 . . . . 0.0 110.953 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.57 ' CZ ' HG13 ' A' ' 32' ' ' VAL . 3.5 m-85 -128.79 148.53 50.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -146.81 -71.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.277 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.4 m -142.74 -59.01 0.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.45 -39.43 87.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.419 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -72.39 -38.73 68.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.58 -39.22 84.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -72.79 -46.38 53.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.47 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . 5.1 mtp180 -57.88 -30.83 66.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.424 HD23 ' CE2' ' A' ' 52' ' ' PHE . 26.8 tp -70.49 -49.92 43.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.22 -38.17 85.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 58' ' ' VAL . 17.7 m120 -64.98 -32.03 73.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tt -84.87 -39.15 18.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.413 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 8.8 mt -57.9 -18.19 21.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -65.45 -18.32 65.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.07 -15.39 41.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.449 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . . . -106.39 2.69 26.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.415 ' CG2' ' CD2' ' A' ' 90' ' ' LEU . 67.2 p -140.55 -72.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.412 ' N ' ' OG1' ' A' ' 68' ' ' THR . . . 105.01 11.56 29.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.494 ' CD1' ' OE1' ' A' ' 93' ' ' GLU . 3.5 pp -113.13 -165.6 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.54 77.9 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.428 HD21 ' CD1' ' A' ' 76' ' ' LEU . 32.4 mt -50.94 159.93 0.89 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 145.99 32.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.6 p -71.76 -22.58 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.01 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.5 p -90.49 0.9 57.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.328 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.44 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 7.7 tt -47.61 -49.75 26.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.491 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 71.1 t -89.89 20.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.56 5.45 3.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.74 16.56 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.548 ' ND1' ' CG2' ' A' ' 86' ' ' VAL . 0.2 OUTLIER -127.08 134.3 25.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.4 Cg_endo -74.99 -52.26 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.472 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 0.1 OUTLIER -133.63 -174.26 3.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.248 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.78 -43.16 66.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.66 -34.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.412 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -78.91 -45.78 19.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.548 ' CG2' ' ND1' ' A' ' 80' ' ' HIS . 40.6 t -49.67 -46.53 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.452 ' CB ' HG22 ' A' ' 22' ' ' VAL . . . -50.1 -55.51 14.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 89' ' ' PHE . . . -50.38 -65.73 2.8 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.6 OUTLIER -37.33 -50.23 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 111.022 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.511 ' C ' ' CD1' ' A' ' 90' ' ' LEU . 0.8 OUTLIER -64.06 -54.88 27.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.417 ' N ' HD13 ' A' ' 90' ' ' LEU . 9.0 t0 -46.13 -50.06 15.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.52 -36.81 74.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.494 ' OE1' ' CD1' ' A' ' 70' ' ' LEU . 2.4 tt0 -69.66 -27.93 65.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.4 mt -90.21 -21.84 21.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.492 ' CG ' ' OD2' ' A' ' 91' ' ' ASP . 2.3 ttp180 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.33 -67.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -62.1 -41.32 98.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -52.27 46.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.2 m -70.1 -43.58 70.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.381 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.97 -23.67 66.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -82.27 -59.45 2.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -50.91 64.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.465 HG23 ' CB ' ' A' ' 87' ' ' ALA . 2.6 t -41.4 -74.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.93 -41.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.456 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -65.29 -55.29 19.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.403 ' N ' HD21 ' A' ' 24' ' ' LEU . 71.4 t -42.46 -64.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.461 ' HD2' ' CB ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -44.1 -45.47 8.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.4 m -62.88 -51.76 65.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.5 m -55.03 -39.55 69.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.958 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.554 HG21 ' CE1' ' A' ' 52' ' ' PHE . 2.2 m -60.82 -63.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.17 -38.45 52.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.5 m -57.26 -37.97 73.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.427 HG12 ' CB ' ' A' ' 59' ' ' ARG . 79.2 t -63.75 -27.12 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 12.4 mt -103.01 33.12 3.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 40.4 45.9 3.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.565 1.166 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -135.82 124.78 24.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 109.636 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -114.72 49.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.88 75.56 75.89 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.51 20.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.448 1.762 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -71.95 -12.56 61.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.46 28.37 8.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.2 t -151.4 125.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.447 ' O ' ' NE ' ' A' ' 26' ' ' ARG . 1.0 OUTLIER -79.57 -176.03 5.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.11 -24.98 18.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 p -106.07 38.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.34 144.07 31.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.467 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.1 Cg_endo -75.03 102.59 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.401 ' CG ' ' N ' ' A' ' 48' ' ' LYS . 25.2 p90 -48.08 -35.54 11.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -53.56 -21.23 6.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -92.04 -22.42 19.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 33' ' ' LEU . 29.0 mt -65.51 -34.59 78.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.03 38.1 1.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.554 ' CE1' HG21 ' A' ' 29' ' ' THR . 2.5 m-85 -101.95 150.3 23.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -150.44 -77.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 58' ' ' VAL . 19.5 m -132.22 -64.12 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.47 -52.28 64.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.507 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -61.42 -37.36 83.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.411 ' HA ' ' CD2' ' A' ' 52' ' ' PHE . . . -69.21 -32.81 72.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.6 t -78.14 -28.24 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.427 ' CB ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -71.76 -36.51 70.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.3 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.8 tp -65.49 -55.82 15.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 8.3 ttm180 -50.44 -46.45 56.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -60.68 -25.63 66.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.68 -37.47 16.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mt -74.52 -3.78 32.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 69' ' ' GLY . 0.3 OUTLIER -68.28 -37.68 80.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.88 -6.96 57.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.456 ' HB1' ' CD2' ' A' ' 24' ' ' LEU . . . -87.62 -11.44 48.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.48 HG23 ' CD2' ' A' ' 90' ' ' LEU . 18.7 p -142.07 -50.43 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.401 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 122.38 -13.06 8.92 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.557 1.16 . . . . 0.0 110.956 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.438 ' CD2' ' HB ' ' A' ' 68' ' ' THR . 0.6 OUTLIER -98.78 -176.59 3.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.245 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.462 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -98.69 4.7 47.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 76' ' ' LEU . 0.2 OUTLIER 54.05 167.26 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.552 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.0 142.89 28.39 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.2 p -64.45 -24.93 67.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 79' ' ' ASP . 58.1 p -90.85 2.97 55.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.395 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.473 ' CD1' HD21 ' A' ' 72' ' ' LEU . 0.9 OUTLIER -40.47 -64.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.497 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 74.2 t -87.45 25.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.1 OUTLIER -138.52 8.25 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.4 OUTLIER -152.15 20.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.658 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -127.82 131.75 23.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.6 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -39.72 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.549 ' N ' ' HD1' ' A' ' 80' ' ' HIS . 0.1 OUTLIER -148.6 -174.01 4.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.461 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . . . -70.54 -44.24 67.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -38.15 -61.34 0.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.022 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -53.11 -56.12 18.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.658 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 45.0 t -42.11 -39.2 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.465 ' CB ' HG23 ' A' ' 22' ' ' VAL . . . -53.41 -47.87 69.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -65.35 -58.31 9.74 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.552 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.8 OUTLIER -42.0 -32.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 110.964 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.48 ' CD2' HG23 ' A' ' 68' ' ' THR . 6.0 mt -83.86 -54.23 5.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.492 ' OD2' ' CG ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -48.43 -49.34 35.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.36 -38.49 68.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.38 -26.02 62.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.9 mt -86.43 -25.03 25.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.03 -72.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 20' ' ' GLU . 5.8 tm-20 -51.29 -52.03 48.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.61 -43.58 36.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.261 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.1 m -73.7 -38.32 64.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.5 -22.1 63.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' GLU . 3.5 tt0 -84.27 -45.92 12.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.458 ' CD1' HD22 ' A' ' 90' ' ' LEU . 0.9 OUTLIER -55.27 -57.61 11.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.451 HG22 ' CB ' ' A' ' 87' ' ' ALA . 2.9 t -57.04 -46.71 84.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 27' ' ' THR . 0.0 OUTLIER -61.2 -31.44 71.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.501 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -77.57 -68.57 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.46 ' CG2' HG11 ' A' ' 86' ' ' VAL . 13.5 p -37.76 -54.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.478 ' CG ' HG11 ' A' ' 41' ' ' VAL . 4.3 tpt85 -54.99 -71.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 23' ' ' ARG . 53.1 m -42.15 -40.61 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.407 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.464 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 2.2 t -62.89 -42.62 99.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.064 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.588 HG22 ' CE2' ' A' ' 52' ' ' PHE . 98.4 m -60.2 -69.5 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.372 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.49 -25.61 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.2 m -71.81 -33.35 68.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.465 HG22 ' CD1' ' A' ' 60' ' ' LEU . 11.3 t -70.62 -18.72 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 4.4 mm? -74.27 -35.77 63.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.15 28.56 4.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -138.66 172.65 12.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.419 0.717 . . . . 0.0 109.602 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -140.6 77.73 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.63 85.71 2.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.406 ' C ' ' N ' ' A' ' 40' ' ' ALA . 18.2 Cg_endo -75.07 -19.57 17.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.44 1.758 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -48.13 -24.12 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 38' ' ' PRO . . . -101.23 47.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.478 HG11 ' CG ' ' A' ' 26' ' ' ARG . 74.0 t -136.98 146.14 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -118.67 -8.38 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 42' ' ' ARG . . . 84.34 -50.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.472 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 19.5 p -89.65 40.36 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.393 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -95.3 145.68 29.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.384 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.496 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -74.96 101.52 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 77' ' ' VAL . 9.6 p90 -47.16 -33.98 5.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.097 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -54.0 -23.52 13.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -89.64 -21.54 22.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.498 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 17.7 mt -72.9 -4.79 34.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.35 60.79 3.64 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.588 ' CE2' HG22 ' A' ' 29' ' ' THR . 0.8 OUTLIER -115.51 129.08 56.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 0.801 . . . . 0.0 110.992 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 54' ' ' SER . 64.0 m-20 -133.75 174.17 10.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 53' ' ' ASP . 33.6 m -35.29 -35.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -69.42 -69.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.78 -41.26 70.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.531 ' CB ' ' CG1' ' A' ' 77' ' ' VAL . . . -59.92 -30.02 68.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.5 t -80.34 -50.38 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -60.24 -14.91 20.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.25 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.47 HD22 ' CG2' ' A' ' 77' ' ' VAL . 4.6 tp -86.87 -56.02 3.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.459 ' NH1' ' O ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -47.17 -42.16 19.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -67.86 -31.41 71.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.085 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.4 tt -81.67 -27.18 34.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -69.64 -28.38 65.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -57.38 -20.1 27.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.24 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.33 -20.57 23.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.96 -29.44 32.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.1 p -116.27 -70.64 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.56 -0.96 10.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 pp -117.11 -174.47 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.1 103.49 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.46 HD11 ' CD1' ' A' ' 90' ' ' LEU . 29.9 mt -89.75 161.54 38.57 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.42 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 18.3 Cg_endo -74.99 130.96 13.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.462 1.77 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.9 p -73.14 -10.83 60.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.023 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 79' ' ' ASP . 45.0 p -90.13 -7.37 53.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.406 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.45 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 2.5 pp -57.19 -45.59 83.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.6 ' O ' ' CE2' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -80.64 5.31 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -119.02 -13.71 9.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 75' ' ' THR . 13.8 t70 -114.66 -24.82 8.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.644 ' CE1' ' CG2' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -89.54 125.92 59.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.562 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -42.28 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.472 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -130.2 162.58 28.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -64.17 -40.11 95.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.01 -29.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -80.25 -50.86 9.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.644 ' CG2' ' CE1' ' A' ' 80' ' ' HIS . 79.5 t -42.54 -49.22 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.451 ' CB ' HG22 ' A' ' 22' ' ' VAL . . . -40.73 -57.0 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.24 -57.44 19.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.145 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.21 -33.52 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.46 ' CD1' HD11 ' A' ' 72' ' ' LEU . 9.4 mp -84.32 -50.51 7.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -52.85 -49.76 65.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.1 -27.56 69.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -81.96 -23.92 35.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 90' ' ' LEU . 9.9 mt -87.98 -24.9 23.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.6 -70.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' GLU . 25.0 tp10 -43.24 -43.54 4.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -56.58 -55.41 34.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.402 ' OG1' ' CG ' ' A' ' 91' ' ' ASP . 18.7 m -55.76 -43.94 77.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.362 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.94 -16.92 61.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' GLU . 2.6 tt0 -85.55 -36.77 20.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.72 -39.61 57.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 84' ' ' SER . 0.3 OUTLIER -62.87 -43.81 99.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -42.81 76.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 tt -74.84 -39.45 61.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.46 HG13 ' CG1' ' A' ' 86' ' ' VAL . 3.4 t -62.48 -23.3 31.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.456 ' CZ ' HG22 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -79.76 -47.11 15.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.1 m -68.82 -34.93 76.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.454 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.447 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 0.5 OUTLIER -67.28 -53.83 26.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.018 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.6 m -48.75 -61.43 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.415 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.97 -36.94 68.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.8 m -65.39 -38.08 88.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.417 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 28' ' ' SER . 23.9 t -61.54 -41.83 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.457 HD11 ' CD1' ' A' ' 50' ' ' LEU . 14.6 mt -68.57 -22.41 64.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.17 42.37 3.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -139.42 125.98 20.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.63 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -102.29 64.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -153.86 93.85 2.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -22.46 14.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.777 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -17.52 62.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.19 30.34 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.456 HG22 ' CZ ' ' A' ' 26' ' ' ARG . 6.3 p -171.23 151.76 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -116.1 177.45 4.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.01 -23.45 33.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 p -104.85 32.18 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.482 ' CG2' ' HD2' ' A' ' 46' ' ' PRO . 2.0 m -96.2 147.07 32.4 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 45' ' ' THR . 18.2 Cg_endo -75.01 131.74 14.61 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.46 1.768 . . . . 0.0 110.956 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.636 ' CD1' ' N ' ' A' ' 48' ' ' LYS . 22.0 p90 -69.53 -47.35 64.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.636 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 9.2 tttt -57.91 -16.77 13.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.461 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . 5.3 tp10 -82.24 -38.17 24.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.339 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.457 ' CD1' HD11 ' A' ' 33' ' ' LEU . 4.6 pp -89.61 -11.65 42.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.13 118.12 2.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.636 ' CD1' ' CB ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -178.86 125.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 110.996 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 55' ' ' LEU . 15.0 m-20 -150.88 -177.01 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.508 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 75.7 m -36.85 -32.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.049 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -71.05 -67.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.636 ' CB ' ' CD1' ' A' ' 52' ' ' PHE . . . -56.4 -41.78 76.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.469 ' CB ' ' HB ' ' A' ' 77' ' ' VAL . . . -61.72 -34.63 76.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 54' ' ' SER . 1.7 t -67.05 -52.21 46.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -28.71 66.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.471 ' CD1' ' HG ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -77.44 -53.74 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.408 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -48.86 -35.62 15.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -58.97 -27.66 65.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.1 tt -90.26 -45.69 8.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.471 ' HG ' ' CD1' ' A' ' 60' ' ' LEU . 9.0 mt -48.81 -24.59 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -55.22 -27.78 48.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.8 -22.74 36.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.24 -26.24 30.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.1 p -123.89 -69.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.386 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.78 16.48 33.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.441 ' CD1' HD23 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -128.73 -177.47 4.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.93 94.71 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.472 HD11 ' CD1' ' A' ' 90' ' ' LEU . 14.5 mt -81.93 160.99 62.22 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 124.14 8.43 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.483 1.781 . . . . 0.0 111.053 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.5 p -62.27 -13.43 28.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 78' ' ' PHE . 52.5 p -90.08 -9.38 48.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.2 pp -45.56 -42.42 10.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.567 HG12 ' CD2' ' A' ' 52' ' ' PHE . 78.1 t -89.58 39.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -153.61 -42.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.02 -11.95 48.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.618 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -97.39 111.98 59.86 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.598 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.454 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.02 -12.53 21.48 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 81' ' ' PRO . 14.5 m-80 -163.47 160.58 23.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -51.99 -53.33 42.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.46 ' HA ' ' CG2' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -42.0 -27.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.009 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.454 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -81.26 -47.14 13.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.541 ' CG2' ' CG ' ' A' ' 80' ' ' HIS . 1.0 OUTLIER -54.99 -52.08 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.442 ' HB1' ' CB ' ' A' ' 22' ' ' VAL . . . -42.7 -57.7 2.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.36 -59.51 8.27 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.04 -32.51 9.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.472 ' CD1' HD11 ' A' ' 72' ' ' LEU . 5.8 mt -80.19 -38.59 30.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.402 ' CG ' ' OG1' ' A' ' 18' ' ' THR . 4.8 t70 -65.85 -45.23 82.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.48 -36.0 81.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.67 -23.0 49.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.7 mt -82.71 -28.49 30.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.69 -68.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' GLU . 30.3 tt0 -51.06 -43.66 61.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.0 tpp85 -56.67 -54.79 42.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.8 m -64.62 -45.98 84.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.16 -20.97 66.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' GLU . 2.9 tt0 -83.61 -58.17 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.354 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.463 ' CD2' HD13 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -55.2 -38.45 68.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.452 HG21 ' CB ' ' A' ' 87' ' ' ALA . 8.0 t -52.87 -65.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mtm105 -45.17 -42.54 9.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tt -67.82 -41.23 83.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 37.9 t -63.39 -55.99 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.405 ' HD3' ' N ' ' A' ' 43' ' ' ALA . 23.9 mtm180 -45.16 -53.77 7.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.9 m -68.87 -49.36 58.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.442 ' CB ' HD21 ' A' ' 64' ' ' LEU . 3.8 m -48.89 -54.28 16.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.05 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.573 ' CG2' ' CE2' ' A' ' 47' ' ' PHE . 2.5 m -56.6 -59.0 5.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.74 -37.95 60.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.9 m -62.1 -40.75 96.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.38 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.7 t -55.51 -20.69 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.54 HD23 ' CD1' ' A' ' 52' ' ' PHE . 4.3 mm? -99.16 29.93 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.56 49.21 11.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -136.63 134.67 37.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 109.614 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.61 73.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.71 120.51 0.31 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -15.32 20.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.525 1.803 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -50.39 -22.8 2.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.64 34.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.7 p -174.58 141.91 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -128.81 20.81 5.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 42' ' ' ARG . . . 81.04 -52.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.6 p -93.94 42.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.19 144.94 29.61 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 102.5 1.6 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.498 1.789 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.657 ' CE2' ' CE1' ' A' ' 80' ' ' HIS . 3.2 m-85 -46.85 -48.83 20.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -51.98 7.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.59 -34.08 77.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.452 ' C ' ' CD1' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -64.33 -30.4 71.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.45 105.39 2.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.571 ' CE1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -156.95 136.35 12.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.983 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 55' ' ' LEU . 4.8 m-20 -134.79 170.17 16.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 53' ' ' ASP . 3.3 m -38.04 -30.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.036 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -78.6 -56.0 4.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.96 95.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.95 -35.86 71.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.401 ' O ' ' CG ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -68.83 -51.75 41.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -48.24 -43.25 32.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.458 ' CD1' ' HG ' ' A' ' 64' ' ' LEU . 56.5 tp -63.14 -57.29 11.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.3 -38.72 28.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.482 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 2.7 m120 -68.27 -47.98 66.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -59.33 5.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 4.0 mt -52.21 -21.57 3.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 62' ' ' ASN . 8.3 t-20 -55.24 -28.6 54.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.44 11.6 21.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.04 3.67 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.466 ' CG2' HD21 ' A' ' 72' ' ' LEU . 32.4 p -133.88 -62.8 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.19 -5.06 10.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.432 ' CD1' ' OE2' ' A' ' 93' ' ' GLU . 0.4 OUTLIER -118.88 -170.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.747 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -92.45 4.47 53.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.527 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 85.1 mt 56.32 158.16 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.94 12.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.1 p -59.22 -17.13 25.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 79' ' ' ASP . 67.8 p -90.43 -5.79 55.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.471 ' CD2' HG21 ' A' ' 77' ' ' VAL . 7.3 tt -45.89 -58.13 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.566 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 44.9 t -90.33 23.28 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.17 7.97 2.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -151.95 20.35 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.657 ' CE1' ' CE2' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -128.9 129.2 23.44 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.608 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.472 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -75.01 -46.75 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.482 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 31.2 m-20 -136.15 -174.67 3.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -70.67 -45.17 65.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.57 -26.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.472 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -84.9 -43.81 13.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.528 HG21 ' CG ' ' A' ' 80' ' ' HIS . 20.5 t -50.1 -49.96 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.452 ' CB ' HG21 ' A' ' 22' ' ' VAL . . . -48.78 -52.44 23.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.26 -58.27 11.28 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -37.56 44.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.527 ' CD2' ' CD2' ' A' ' 72' ' ' LEU . 27.9 mt -76.39 -37.08 57.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -68.1 -46.24 71.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.17 77.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.432 ' OE2' ' CD1' ' A' ' 70' ' ' LEU . 1.6 tt0 -78.3 -21.89 48.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.8 mt -83.06 -28.87 29.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.1 -45.26 3.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 4.0 mm-40 -75.75 -38.53 58.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -34.12 75.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 m -85.17 -43.67 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.9 -32.55 73.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 6.3 tt0 -68.55 -54.41 16.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.412 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -58.73 -30.09 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.455 HG23 ' CB ' ' A' ' 87' ' ' ALA . 2.7 t -59.21 -77.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.34 -26.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.468 HD22 ' CB ' ' A' ' 67' ' ' ALA . 0.1 OUTLIER -75.18 -54.45 7.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.453 HG13 ' CG1' ' A' ' 86' ' ' VAL . 12.8 t -50.61 -29.15 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -65.14 -47.06 78.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.5 m -69.38 -48.3 61.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.7 p -50.7 -46.0 58.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 32' ' ' VAL . 27.1 m -63.47 -61.81 2.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.445 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -48.72 -32.67 8.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.9 m -67.2 -34.43 77.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.415 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.435 ' CG1' ' HB3' ' A' ' 59' ' ' ARG . 60.2 t -64.45 -34.18 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.358 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -78.15 -10.92 59.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.24 23.93 42.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' ASP . 22.9 m170 -87.43 -6.96 58.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.64 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' HIS . 11.4 m-20 38.96 76.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -172.64 83.75 0.43 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -19.85 17.4 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 110.954 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -74.13 -15.31 61.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.6 17.7 17.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.4 t -123.59 157.86 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.52 -177.76 4.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.05 -26.3 14.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.8 p -115.91 45.31 1.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 110.398 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.487 ' CG2' ' HD2' ' A' ' 46' ' ' PRO . 2.0 m -110.8 147.16 35.91 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 0.0 110.401 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.487 ' HD2' ' CG2' ' A' ' 45' ' ' THR . 18.3 Cg_endo -74.99 98.2 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.458 1.767 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.572 ' CE1' HG11 ' A' ' 77' ' ' VAL . 5.2 p90 -48.4 -35.16 12.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.162 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.444 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.5 ttmt -49.33 -34.12 14.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -71.16 -33.35 69.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.474 ' HB3' ' CD2' ' A' ' 33' ' ' LEU . 53.4 mt -53.89 -36.13 62.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.352 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.04 58.34 0.42 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.429 1.081 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.541 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 2.4 m-30 -112.14 153.72 26.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -158.23 -76.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 58' ' ' VAL . 14.8 m -132.8 -61.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -55.79 29.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.541 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -65.06 -27.63 68.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.52 -28.58 59.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' SER . 3.6 t -89.21 -26.37 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.435 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 5.2 mtt180 -64.09 -42.59 96.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.469 ' CD1' ' HG ' ' A' ' 64' ' ' LEU . 48.5 tp -66.65 -59.08 3.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 5.9 tmm_? -50.09 -25.75 3.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -77.24 -45.61 25.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.79 -46.71 57.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 60' ' ' LEU . 8.5 mt -57.33 -21.29 34.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -54.81 -18.92 5.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.46 -18.51 21.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.468 ' CB ' HD22 ' A' ' 24' ' ' LEU . . . -94.94 7.2 46.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -143.02 -71.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.423 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.89 -14.33 5.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.518 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -108.46 -170.99 1.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 0.754 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 14.0 mtt180 -98.25 3.41 48.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.486 ' O ' ' O ' ' A' ' 71' ' ' ARG . 12.5 mt 53.83 163.42 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.416 ' CD ' HD23 ' A' ' 72' ' ' LEU . 18.3 Cg_endo -74.98 132.87 15.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.9 p -54.85 -23.16 17.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 78' ' ' PHE . 51.9 m -81.13 -11.77 59.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.418 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.475 ' CD1' HD22 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -39.85 -55.32 2.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.297 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.572 HG11 ' CE1' ' A' ' 47' ' ' PHE . 54.2 t -84.7 44.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 75' ' ' THR . 2.4 t80 -154.21 -42.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -94.03 -11.05 31.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.686 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -98.98 109.67 54.81 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.575 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -44.37 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.474 1.776 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -133.0 -177.11 4.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -70.04 -46.59 64.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.93 -38.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.66 -43.89 29.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.686 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 79.1 t -51.67 -44.97 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.455 ' CB ' HG23 ' A' ' 22' ' ' VAL . . . -46.63 -57.55 4.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -55.78 -65.3 3.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER -37.67 -38.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.989 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.46 ' CD1' HD11 ' A' ' 76' ' ' LEU . 6.3 mp -75.68 -50.37 15.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 88' ' ' GLY . 6.2 t0 -52.17 -43.71 64.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.38 83.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.99 -28.34 66.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.3 mt -90.15 -21.34 22.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.84 23.85 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -129.77 -43.92 1.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.473 ' CZ ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -74.08 -33.53 63.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.408 ' OG1' ' OD1' ' A' ' 91' ' ' ASP . 26.3 m -86.88 -51.66 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.47 -17.23 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 2.0 tt0 -86.28 -63.39 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.412 HD11 ' NH1' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -56.31 -34.85 66.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.408 ' CG2' ' HB3' ' A' ' 87' ' ' ALA . 18.2 t -64.93 -60.66 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -53.44 -19.83 4.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.344 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.455 ' CD2' ' HB3' ' A' ' 67' ' ' ALA . 2.8 tp -90.04 -53.73 4.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.463 HG21 ' CG1' ' A' ' 86' ' ' VAL . 0.3 OUTLIER -52.78 -38.1 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -65.59 -45.07 84.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.475 ' O ' ' CB ' ' A' ' 31' ' ' THR . 92.5 m -69.86 -35.06 74.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.8 m -68.05 -49.67 59.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.466 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 23.6 m -61.19 -35.48 77.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.417 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 35' ' ' HIS . . . -80.61 -36.49 32.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.475 ' CB ' ' O ' ' A' ' 27' ' ' THR . 3.2 m -68.16 -53.93 21.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.368 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.431 HG12 ' CD1' ' A' ' 60' ' ' LEU . 7.7 p -48.32 -36.63 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.506 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -90.92 34.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' THR . . . 43.18 55.99 4.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.505 ' CB ' ' O ' ' A' ' 30' ' ' ALA . 0.9 OUTLIER -133.21 128.23 35.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 0.791 . . . . 0.0 109.566 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -122.34 26.17 8.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.26 78.88 44.27 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -18.77 18.59 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.08 -29.69 67.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.35 14.78 25.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.3 t -117.79 149.49 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -125.08 169.77 11.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.403 ' O ' ' OG ' ' A' ' 84' ' ' SER . . . -77.3 -34.28 55.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.471 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 10.9 p -99.71 36.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.61 151.05 49.84 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.438 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 124.94 8.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 80' ' ' HIS . 18.1 p90 -78.59 -44.5 23.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.591 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 26.3 tttt -60.51 -16.51 37.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.429 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -75.51 -32.91 60.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.448 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 1.6 mt -69.6 -28.04 65.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.96 42.71 0.7 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.577 ' CD1' ' HB3' ' A' ' 56' ' ' ALA . 1.6 m-85 -106.0 144.5 32.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.73 -78.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -116.85 -80.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.031 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.84 -66.1 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.577 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . . . -55.77 -33.92 64.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.362 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.49 ' HB1' ' CG1' ' A' ' 77' ' ' VAL . . . -64.79 -32.25 73.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 54' ' ' SER . 0.4 OUTLIER -81.38 -39.08 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.406 ' N ' HG12 ' A' ' 58' ' ' VAL . 6.3 mtm180 -57.21 -37.1 71.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 63' ' ' LEU . 6.2 tp -64.07 -65.55 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.428 ' CD ' ' HB2' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -39.94 -41.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 58' ' ' VAL . 24.2 m120 -58.69 -48.43 81.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 60' ' ' LEU . 2.0 tt -73.98 -46.77 41.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.465 ' CD1' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -46.62 -33.39 4.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' GLY . 29.8 m120 -52.12 -32.26 34.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.09 -23.88 47.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.455 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . . . -80.7 -19.33 45.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.482 HG23 ' CD1' ' A' ' 90' ' ' LEU . 34.7 p -143.01 -68.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 110.4 7.59 26.11 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.467 ' CD2' ' HG2' ' A' ' 93' ' ' GLU . 4.6 pp -96.24 178.44 5.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.767 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -87.67 79.71 8.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.49 HD22 ' CD1' ' A' ' 76' ' ' LEU . 1.5 mp -50.77 152.69 3.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.577 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -74.99 147.28 33.75 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -72.85 -20.94 61.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 78' ' ' PHE . 50.0 p -86.38 -7.42 58.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.49 ' CD1' HD22 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -40.0 -58.8 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.49 ' CG1' ' HB1' ' A' ' 57' ' ' ALA . 70.0 t -83.38 45.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 75' ' ' THR . 2.0 t80 -153.75 -41.99 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.85 -16.0 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -93.32 114.58 63.23 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.62 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.2 2.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.471 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -141.12 177.58 7.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB2' ' CG1' ' A' ' 25' ' ' VAL . . . -59.99 -43.17 95.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 43' ' ' ALA . 0.3 OUTLIER -38.35 -66.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -47.36 -54.96 9.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.525 HG22 ' CG ' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -45.75 -38.78 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.408 ' HB3' ' CG2' ' A' ' 22' ' ' VAL . . . -59.21 -43.94 92.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -64.38 -63.34 4.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.577 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -39.44 -35.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 0.721 . . . . 0.0 110.978 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.482 ' CD1' HG23 ' A' ' 68' ' ' THR . 4.6 mm? -81.77 -52.47 7.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.408 ' OD1' ' OG1' ' A' ' 18' ' ' THR . 1.7 t70 -52.94 -49.25 66.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.57 -38.04 71.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.354 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.467 ' HG2' ' CD2' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -79.49 -20.9 46.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.473 HD13 ' CZ ' ' A' ' 17' ' ' ARG . 40.8 mt -80.61 -30.27 36.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.534 1.146 . . . . 0.0 111.025 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.03 -64.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 20' ' ' GLU . 49.1 mm-40 -42.81 -48.99 5.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -42.55 97.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.5 m -64.43 -42.25 96.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.91 -27.64 54.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.5 tt0 -70.43 -49.32 50.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -43.7 89.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.469 HG22 ' CB ' ' A' ' 87' ' ' ALA . 2.7 t -50.53 -60.89 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -38.94 44.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.402 ' C ' ' N ' ' A' ' 26' ' ' ARG . 7.9 tt -68.25 -56.68 7.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 83' ' ' ALA . 67.4 t -45.49 -28.2 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.461 ' CZ ' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.43 -74.53 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.6 p -49.05 -58.2 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.3 p -43.7 -52.21 6.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 32' ' ' VAL . 3.3 m -53.61 -70.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.358 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.33 -38.75 9.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.1 m -61.31 -38.61 87.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.364 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 29' ' ' THR . 93.3 t -59.81 -38.38 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.536 HD21 ' CE1' ' A' ' 52' ' ' PHE . 21.4 mt -66.47 -23.1 66.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.72 29.97 7.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -124.37 171.65 9.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 109.568 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -142.2 69.52 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -163.22 99.7 1.01 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -13.93 21.35 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.547 1.814 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -54.2 -24.21 17.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.457 ' O ' ' CG2' ' A' ' 41' ' ' VAL . . . -91.9 38.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 40' ' ' ALA . 93.7 t -155.61 135.98 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.92 26.74 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.411 ' HA ' ' NH2' ' A' ' 26' ' ' ARG . . . 73.93 -57.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.477 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 1.4 m -96.08 42.17 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.94 159.31 54.75 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 106.4 2.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.494 1.786 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 7.3 p90 -56.9 -43.16 81.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.568 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 14.4 tttp -49.98 -36.63 28.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.32 -35.53 54.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 37.0 mt -52.74 -27.07 16.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.8 35.34 3.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.129 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.624 ' CD1' ' CB ' ' A' ' 56' ' ' ALA . 3.8 m-30 -111.42 139.15 47.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -157.25 -56.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 57' ' ' ALA . 73.2 m -142.99 -75.75 0.26 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.14 -55.63 3.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.624 ' CB ' ' CD1' ' A' ' 52' ' ' PHE . . . -59.1 -38.7 80.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.466 ' HB2' ' CG1' ' A' ' 77' ' ' VAL . . . -66.1 -29.68 70.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -76.76 -41.14 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.96 -31.81 59.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.553 HD23 ' CE2' ' A' ' 52' ' ' PHE . 5.6 tp -75.6 -28.08 58.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.533 ' NH2' ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -74.07 -56.42 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -47.73 -27.97 2.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.345 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.2 OUTLIER -90.8 -60.68 1.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.458 ' CD1' HG12 ' A' ' 86' ' ' VAL . 8.7 mt -45.88 -30.68 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -60.13 -41.36 92.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -77.08 -2.86 36.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -113.01 -4.35 13.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.486 ' CG2' ' CD1' ' A' ' 72' ' ' LEU . 20.0 p -118.35 -59.24 1.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.382 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.84 5.24 51.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.447 ' CD2' ' C ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -131.73 -169.36 2.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 0.758 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -112.2 79.06 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.533 ' CD1' ' NH2' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -50.03 166.85 0.26 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.538 ' HG3' ' CE2' ' A' ' 89' ' ' PHE . 18.1 Cg_endo -75.04 125.69 9.46 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 97.7 p -53.89 -20.62 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.8 p -87.54 -5.5 58.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.486 HD21 ' CZ ' ' A' ' 61' ' ' ARG . 2.3 pp -47.78 -42.98 27.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.589 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . 78.9 t -83.81 37.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -151.17 -40.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.4 -10.56 37.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.674 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 1.8 p-80 -90.61 121.58 68.12 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.585 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -22.67 14.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.768 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.477 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -161.83 167.98 23.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.462 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . . . -56.58 -48.31 77.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.58 -27.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.454 ' N ' ' C ' ' A' ' 83' ' ' ALA . . . -79.09 -53.1 7.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.674 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 27.4 t -42.55 -51.53 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.491 ' HA ' ' CD2' ' A' ' 90' ' ' LEU . . . -57.35 -40.33 77.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -57.56 -51.11 59.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.538 ' CE2' ' HG3' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -55.88 -58.45 7.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 111.001 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.491 ' CD2' ' HA ' ' A' ' 87' ' ' ALA . 1.4 pp -54.58 -48.52 72.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 95' ' ' GLY . 19.7 t0 -42.4 -56.6 2.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.6 -38.23 59.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.2 mt-10 -73.06 -23.96 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 51.4 mt -89.5 -24.1 21.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.145 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.78 -58.55 6.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -61.39 -51.84 67.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -51.4 -55.6 17.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 m -62.09 -43.0 99.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.364 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.24 -19.25 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLU . 3.0 tt0 -89.13 -46.53 8.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.478 ' CD1' HD23 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -62.33 -39.81 94.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.472 HG22 ' CB ' ' A' ' 87' ' ' ALA . 25.5 t -65.84 -70.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -38.61 -30.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.458 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -72.78 -58.15 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.458 ' CG1' ' HB1' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -57.03 -28.52 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.437 ' NH2' ' O ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.38 -67.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.407 ' O ' ' CB ' ' A' ' 31' ' ' THR . 1.2 p -55.4 -40.89 71.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.6 m -64.74 -40.17 94.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.443 ' CG2' HD21 ' A' ' 50' ' ' LEU . 1.9 m -61.67 -71.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.455 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -48.04 -32.3 6.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 27' ' ' THR . 1.3 m -60.63 -32.41 71.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.43 -12.86 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.543 ' CD2' ' CD1' ' A' ' 50' ' ' LEU . 1.9 mm? -100.9 -17.75 16.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.7 -39.68 2.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -86.45 149.88 24.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.607 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -109.01 -30.18 8.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -49.17 106.24 0.6 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -25.36 11.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.31 -30.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.3 49.71 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.087 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -178.04 157.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.437 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -124.03 165.83 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.87 -35.95 62.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.466 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 2.1 m -101.35 36.67 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.459 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.94 146.73 34.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.387 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 111.59 3.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 48' ' ' LYS . 31.8 p90 -56.81 -37.59 71.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.505 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -57.36 -19.56 23.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -94.87 -33.61 12.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.57 HD12 ' CD1' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -64.23 -28.05 69.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.51 44.65 0.89 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.57 ' CD1' HD12 ' A' ' 50' ' ' LEU . 2.3 m-30 -118.32 140.73 49.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 0.747 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -159.99 -78.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 58' ' ' VAL . 50.4 m -123.03 -73.72 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -44.32 -56.56 4.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.563 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -63.11 -34.32 77.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.49 -29.49 69.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.3 t -76.9 -50.96 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.72 -35.15 65.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 63' ' ' LEU . 10.1 tp -73.14 -53.36 11.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.514 ' NH2' ' N ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -47.04 -30.34 2.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -76.14 -36.67 58.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -78.95 -52.88 7.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.439 HD21 ' CG2' ' A' ' 25' ' ' VAL . 4.0 mt -50.91 -37.4 43.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.514 ' N ' ' NH2' ' A' ' 61' ' ' ARG . 1.4 m-20 -57.73 -20.04 31.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.69 -19.13 21.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.439 ' CB ' ' HG ' ' A' ' 24' ' ' LEU . . . -68.0 -24.94 65.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.534 ' CG2' ' CD1' ' A' ' 90' ' ' LEU . 1.9 p -127.76 -42.89 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.398 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.07 8.14 48.38 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.482 ' CD1' ' HG ' ' A' ' 72' ' ' LEU . 1.4 pp -112.29 174.56 5.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -94.32 104.64 16.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.482 ' HG ' ' CD1' ' A' ' 70' ' ' LEU . 11.3 mt -85.29 166.7 29.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 72' ' ' LEU . 18.3 Cg_endo -74.98 146.59 32.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.6 p -70.36 -21.99 62.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 78' ' ' PHE . 80.8 p -77.07 -12.53 59.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.474 HD22 ' CG2' ' A' ' 86' ' ' VAL . 6.9 tt -39.85 -50.48 2.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.467 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 73.1 t -86.25 43.16 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.509 ' N ' ' O ' ' A' ' 75' ' ' THR . 6.9 t80 -147.6 -44.5 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -90.52 -10.87 41.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -98.2 112.64 62.56 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.576 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.448 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 18.3 Cg_endo -74.98 -31.35 6.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.466 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.4 OUTLIER -148.84 165.73 30.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 109.352 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.458 ' HB1' ' CG1' ' A' ' 25' ' ' VAL . . . -53.43 -51.89 61.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -38.62 -32.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.442 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -86.66 -46.83 9.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.474 ' CG2' HD22 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -55.81 -42.58 70.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.472 ' CB ' HG22 ' A' ' 22' ' ' VAL . . . -49.95 -49.58 49.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -60.71 -67.77 1.98 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.7 OUTLIER -36.21 -33.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 111.03 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.534 ' CD1' ' CG2' ' A' ' 68' ' ' THR . 2.1 tp -85.13 -50.92 7.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.493 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 4.4 t0 -58.83 -23.03 59.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -84.69 -32.48 23.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.32 -20.69 27.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.493 ' CD2' ' HA ' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -90.85 -27.14 19.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.363 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 18' ' ' THR . 3.7 ttp180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 18' ' ' THR . . . -55.76 -76.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.99 -43.31 19.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.7 tpp85 -62.61 -29.78 70.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 15' ' ' ALA . 19.3 m -81.65 -38.84 25.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.416 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.92 -39.7 61.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 24' ' ' LEU . 6.4 pt-20 -64.21 -44.82 90.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.46 ' N ' ' CG ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -56.1 -41.91 75.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 87' ' ' ALA . 42.9 t -67.61 -74.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 ptt85 -40.72 -35.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.476 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 7.0 tt -75.28 -52.38 11.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.46 HG11 ' CG1' ' A' ' 86' ' ' VAL . 3.0 t -52.69 -39.79 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 27' ' ' THR . 1.4 mtp-105 -59.16 -76.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' ARG . 40.5 p -35.69 -65.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' THR . 5.9 t -37.48 -65.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.983 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.1 m -41.79 -66.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.448 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.84 -29.3 18.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -71.5 -36.66 71.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.394 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.4 t -60.59 -32.11 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -76.72 -4.11 41.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.16 18.71 49.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 36' ' ' ASP . 6.2 m-70 -91.94 -11.33 36.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.572 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 35' ' ' HIS . 3.6 m-20 38.22 53.13 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.01 111.49 2.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.471 ' O ' ' CG1' ' A' ' 41' ' ' VAL . 18.2 Cg_endo -75.01 -17.19 19.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' PRO . 2.8 mttt -39.66 -29.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' PRO . . . -91.85 50.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 38' ' ' PRO . 3.3 p -172.22 147.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -154.06 22.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 42' ' ' ARG . . . 83.78 -49.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.445 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 2.3 p -100.2 28.33 5.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.341 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.483 ' CG2' ' HD2' ' A' ' 46' ' ' PRO . 1.9 m -92.31 147.17 34.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.362 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.483 ' HD2' ' CG2' ' A' ' 45' ' ' THR . 18.4 Cg_endo -74.93 121.94 6.92 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.602 ' CD1' ' N ' ' A' ' 48' ' ' LYS . 21.5 p90 -72.94 -45.96 55.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.602 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -53.08 -22.57 6.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.23 -38.15 63.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mp -59.96 -31.55 69.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.49 55.44 0.36 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.582 ' CD1' ' HB3' ' A' ' 56' ' ' ALA . 1.4 m-30 -116.72 142.05 47.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 0.789 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.98 -75.3 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 58' ' ' VAL . 68.9 m -130.26 -64.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.042 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -55.66 23.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.582 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . . . -70.83 -23.25 62.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.48 -29.88 59.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 54' ' ' SER . 17.2 t -90.08 -27.08 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -28.73 69.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tp -89.46 -35.88 15.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.505 ' C ' ' CD ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -68.84 -29.53 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.293 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.438 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 4.8 m-80 -80.7 -29.14 36.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 tt -84.04 -39.08 20.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 mt -65.8 -13.2 59.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -58.76 -20.58 50.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.21 4.95 50.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.461 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . . . -113.06 -13.02 13.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.47 ' CG2' HD22 ' A' ' 72' ' ' LEU . 6.8 p -123.8 -57.93 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 110.405 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 124.85 -14.68 7.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.88 -169.28 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 72' ' ' LEU . 1.6 ttt180 -90.16 4.35 50.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.481 HD12 ' CD1' ' A' ' 76' ' ' LEU . 7.9 mt 54.5 163.84 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.563 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -75.0 144.61 30.43 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.781 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.4 p -75.55 -19.49 59.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.029 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 79' ' ' ASP . 10.9 p -89.8 -1.53 58.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.42 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.481 ' CD1' HD12 ' A' ' 72' ' ' LEU . 7.7 tt -47.54 -53.4 14.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.467 HG11 ' CE1' ' A' ' 47' ' ' PHE . 6.3 t -85.73 19.02 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -137.64 9.37 2.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.7 OUTLIER -137.42 -37.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.599 ' O ' ' CE2' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -88.08 113.3 54.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.622 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -32.13 5.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 44' ' ' THR . 88.8 m-20 -141.0 145.22 35.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -39.29 -47.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.4 OUTLIER -37.82 -37.14 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.66 -50.35 12.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.547 ' HB ' ' CD2' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -48.01 -49.94 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.459 ' HB2' ' CG2' ' A' ' 22' ' ' VAL . . . -45.29 -57.16 4.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.51 -56.18 16.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.563 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 1.3 t80 -52.47 -33.55 45.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.47 HD12 ' CG2' ' A' ' 68' ' ' THR . 4.0 mt -80.47 -39.9 27.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.2 -47.53 79.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.51 -31.03 69.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.406 ' CB ' ' O ' ' A' ' 89' ' ' PHE . 1.5 tt0 -77.32 -24.62 50.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.0 mt -89.86 -23.87 21.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.58 -61.21 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.25 -56.19 3.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -53.43 58.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -54.31 -42.78 70.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.1 -18.22 60.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.09 -43.29 18.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.457 HD21 ' CD1' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -60.09 -48.24 82.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.5 t -59.75 -62.29 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -39.73 -43.78 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -62.46 1.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.46 ' CG1' HG12 ' A' ' 86' ' ' VAL . 47.9 t -42.15 -43.67 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -53.91 -63.95 0.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.443 ' O ' ' CB ' ' A' ' 31' ' ' THR . 2.1 p -62.47 -49.59 74.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.93 -45.46 67.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.449 ' CB ' ' O ' ' A' ' 25' ' ' VAL . 18.0 m -61.37 -67.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.87 -36.98 40.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 27' ' ' THR . 1.7 m -53.3 -34.94 59.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.0 t -66.56 -12.49 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 13.3 mt -103.33 16.54 26.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.74 46.13 24.64 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -138.81 121.99 16.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 109.593 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.48 67.73 7.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -150.74 97.89 3.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -19.1 18.14 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.543 1.812 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.07 -2.81 46.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.33 -16.25 33.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.4 t -124.39 138.87 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -97.6 178.1 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.07 -28.15 21.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.452 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -101.91 8.74 41.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.434 ' OG1' ' HD2' ' A' ' 46' ' ' PRO . 1.7 t -45.78 148.4 1.36 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.531 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.02 5.05 4.22 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.801 . . . . 0.0 111.039 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.592 ' CD1' ' N ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER 65.61 -56.26 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.592 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 1.8 mmtt -58.61 -15.45 11.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.494 ' CG ' ' HG2' ' A' ' 46' ' ' PRO . 2.9 mm-40 -73.96 -32.58 63.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.59 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -89.33 25.02 2.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 36.77 88.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.102 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.59 ' CE1' ' CD1' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -128.38 125.73 39.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 0.758 . . . . 0.0 110.992 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' LEU . 8.1 p30 -134.18 177.71 7.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.3 m -38.54 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -73.28 -67.35 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.77 -40.31 75.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.447 ' HB1' ' CG1' ' A' ' 77' ' ' VAL . . . -61.34 -32.39 72.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -77.93 -40.17 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -69.95 -22.89 63.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.271 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 61' ' ' ARG . 52.6 tp -71.25 -69.38 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -36.76 -54.9 0.9 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -45.21 -52.72 9.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.417 ' C ' ' N ' ' A' ' 65' ' ' ASN . 0.2 OUTLIER -69.37 -48.07 62.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 mt -47.63 -24.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 63' ' ' LEU . 2.6 t-20 -56.81 -25.52 55.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.25 -17.69 48.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.22 -26.18 23.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.444 ' CG2' HD23 ' A' ' 90' ' ' LEU . 39.0 p -120.67 -66.69 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.46 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 104.73 10.45 32.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.4 pp -124.39 -179.71 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 0.0 109.301 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -79.83 87.17 5.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 90' ' ' LEU . 22.0 mt -65.88 161.58 52.98 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.441 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 18.1 Cg_endo -75.09 145.89 31.68 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.6 p -81.81 -8.02 59.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 78' ' ' PHE . 46.8 p -89.58 -13.83 36.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.451 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 1.9 pt? -40.82 -50.67 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.597 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 36.5 t -85.35 43.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -152.65 -42.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.63 -12.39 27.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -100.22 108.92 54.81 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.621 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.0 -36.63 2.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.502 1.791 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -131.68 156.24 46.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -47.66 -53.47 14.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.8 OUTLIER -38.23 -48.6 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.412 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -57.97 -50.71 72.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.46 HG12 ' CG1' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -53.7 -40.28 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.49 -48.11 69.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.85 -46.95 90.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.64 -34.37 62.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.471 ' CD1' HD22 ' A' ' 72' ' ' LEU . 9.1 mp -80.71 -40.67 24.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 95' ' ' GLY . 1.4 t70 -65.24 -46.3 81.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.82 -30.69 65.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -85.05 -20.84 29.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.457 ' CD1' HD21 ' A' ' 21' ' ' LEU . 48.7 mt -90.06 -22.16 21.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 19' ' ' ALA . . . -67.9 -51.06 52.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.85 -61.37 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.418 ' NH2' ' HB3' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -48.63 -35.18 13.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.7 m -79.39 -35.6 40.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -73.02 -29.66 63.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.81 -48.03 34.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.48 ' CD1' HD23 ' A' ' 90' ' ' LEU . 1.0 OUTLIER -59.13 -43.66 91.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.515 ' CG2' ' CB ' ' A' ' 87' ' ' ALA . 3.7 t -58.9 -66.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -39.41 -44.96 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.75 -53.45 58.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.401 ' O ' ' OG1' ' A' ' 29' ' ' THR . 16.8 t -55.61 -57.27 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.228 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -42.51 -55.05 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 31' ' ' THR . 3.5 p -66.29 -53.65 34.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 t -46.82 -53.37 12.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.461 HG21 ' CD1' ' A' ' 50' ' ' LEU . 3.6 m -54.55 -71.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.98 -34.86 4.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 27' ' ' THR . 20.2 m -68.14 -38.41 82.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' THR . 55.2 t -59.65 -17.6 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -90.1 -20.16 23.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.19 0.51 29.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -119.08 130.1 55.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 0.768 . . . . 0.0 109.625 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -103.72 71.19 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.23 106.48 3.36 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 41' ' ' VAL . 18.3 Cg_endo -74.98 -15.32 20.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -54.04 -20.29 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.27 23.72 7.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' PRO . 25.6 t -147.89 124.38 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 1.5 mtm180 -92.87 13.49 20.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 42' ' ' ARG . . . 81.84 -51.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -96.45 43.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.43 160.42 30.6 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 123.76 8.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 5.5 p90 -74.1 -28.3 61.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -69.78 -16.59 63.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.53 -26.97 24.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.461 ' CD1' HG21 ' A' ' 29' ' ' THR . 37.9 mt -67.62 -31.09 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.74 41.59 1.56 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.44 1.088 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.402 ' CE2' HD21 ' A' ' 60' ' ' LEU . 5.2 m-85 -95.57 141.53 28.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -149.38 -83.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.8 m -124.99 -63.93 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.0 -54.83 37.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.97 -30.51 68.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.467 ' CB ' ' CG1' ' A' ' 77' ' ' VAL . . . -68.0 -31.35 70.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.417 ' CG1' ' OD1' ' A' ' 62' ' ' ASN . 1.2 t -83.67 -54.14 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.63 -28.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.402 HD21 ' CE2' ' A' ' 52' ' ' PHE . 11.7 tp -86.49 -50.67 6.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.421 ' NH2' ' HA ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -59.38 -15.3 15.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.463 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 29.5 m120 -80.18 -38.72 30.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.58 -51.96 6.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.495 ' CD1' ' CG1' ' A' ' 86' ' ' VAL . 12.3 mt -43.6 -57.81 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 66' ' ' ALA . 3.1 p30 -53.57 -39.44 64.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.466 ' N ' ' OD1' ' A' ' 65' ' ' ASN . . . -67.81 -9.6 45.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.45 24.02 13.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.458 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 1.2 p -141.06 -44.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.392 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.71 -3.83 14.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.438 ' CD2' ' HB ' ' A' ' 68' ' ' THR . 0.7 OUTLIER -119.62 -160.23 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.52 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -109.67 2.49 20.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.52 ' O ' ' O ' ' A' ' 71' ' ' ARG . 18.8 mt 53.24 163.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 156.18 42.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.477 1.778 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.421 ' HA ' ' NH2' ' A' ' 61' ' ' ARG . 10.1 t -79.3 -15.76 57.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.962 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 78' ' ' PHE . 77.1 p -90.33 -7.22 53.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 80' ' ' HIS . 9.6 tt -39.69 -52.93 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.582 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 40.5 t -85.13 44.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.481 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -151.44 -41.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.47 8.07 45.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.597 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 3.7 p-80 -101.32 107.65 51.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.593 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.459 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.4 Cg_endo -75.02 -25.31 11.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -159.69 175.93 12.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 85' ' ' ALA . . . -66.16 -51.91 53.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.37 -27.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.459 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -78.0 -53.05 7.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.153 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.495 ' CG1' ' CD1' ' A' ' 64' ' ' LEU . 88.4 t -44.51 -50.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.515 ' CB ' ' CG2' ' A' ' 22' ' ' VAL . . . -43.94 -57.33 3.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.52 -55.86 20.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.21 -41.64 13.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.747 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.48 HD23 ' CD1' ' A' ' 21' ' ' LEU . 10.8 mp -70.82 -44.69 66.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -61.38 -46.83 88.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.59 -36.86 74.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.47 -27.43 64.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' A' ' 68' ' ' THR . 48.5 mt -87.71 -24.14 23.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.936 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' ARG . . . -40.4 -56.47 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -63.73 -40.86 97.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -57.94 -54.05 51.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.3 m -66.22 -46.98 75.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.14 -22.71 67.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 16' ' ' GLU . 12.1 tt0 -82.33 -43.28 17.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.468 ' CD2' HD21 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -69.84 -30.84 68.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.463 HG23 ' CB ' ' A' ' 87' ' ' ALA . 2.9 t -64.09 -52.8 51.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -54.5 -39.25 67.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 tt -73.35 -45.48 54.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' ' 83' ' ' ALA . 2.2 t -49.31 -48.71 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -62.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -52.65 -47.48 67.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.7 p -54.31 -43.04 70.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.009 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.551 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 25.1 m -61.91 -65.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.417 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.96 -37.01 8.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.3 m -61.09 -37.33 82.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 56' ' ' ALA . 53.3 t -65.12 -18.08 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.429 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 14.9 mt -104.65 29.58 6.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 39.84 46.39 3.05 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -159.64 133.8 7.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 0.796 . . . . 0.0 109.597 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.43 71.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -136.78 91.69 15.26 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' VAL . 18.5 Cg_endo -74.91 -17.2 19.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.041 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -20.64 6.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.48 27.51 4.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 38' ' ' PRO . 49.1 t -137.69 144.44 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.499 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -125.47 9.1 7.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 42' ' ' ARG . . . 83.66 -50.75 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.454 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 6.6 p -90.89 28.5 1.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 110.454 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -85.25 144.74 41.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.393 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.491 ' HG2' ' CB ' ' A' ' 49' ' ' GLU . 18.3 Cg_endo -75.02 137.92 22.31 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' A' ' 48' ' ' LYS . 27.8 p90 -69.78 -40.85 75.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.629 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -64.47 -10.94 28.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.491 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . 1.9 tp10 -87.93 -35.92 17.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.703 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 4.2 pp -85.07 -13.45 50.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.71 60.2 0.94 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.703 ' CD1' ' CD1' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -123.64 140.18 53.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -159.44 -81.2 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 58' ' ' VAL . 73.1 m -120.28 -68.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.003 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 mt -45.59 -53.71 8.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.557 ' CB ' ' CD1' ' A' ' 52' ' ' PHE . . . -63.32 -39.21 93.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.489 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -62.9 -37.41 86.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.1 t -67.85 -45.9 83.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -29.22 70.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.427 ' N ' HG21 ' A' ' 32' ' ' VAL . 7.0 tp -79.73 -40.7 28.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.446 ' CG ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -61.39 -45.97 92.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -55.56 -38.59 69.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -78.55 -54.21 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 8.3 mt -49.55 -39.77 35.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -55.85 -27.26 50.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -85.69 9.75 15.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.11 27.08 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.0 p -148.73 -58.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.424 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 126.68 -14.97 6.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.01 -170.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.515 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -92.45 2.87 56.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.515 ' O ' ' O ' ' A' ' 71' ' ' ARG . 13.3 mt 52.94 164.51 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.423 ' O ' ' CD1' ' A' ' 76' ' ' LEU . 18.4 Cg_endo -75.05 150.4 37.89 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.793 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.1 p -74.92 -23.71 58.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.3 p -92.0 3.22 55.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.428 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.588 ' C ' ' CD2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -57.69 -40.99 80.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.573 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 1.6 t -84.86 4.35 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -109.8 -43.89 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.404 ' HB3' ' CE2' ' A' ' 89' ' ' PHE . 1.7 t70 -75.61 -28.76 59.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.639 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -92.01 112.3 54.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.617 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.455 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -74.96 -37.68 1.95 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -131.54 165.66 23.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.452 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . . . -53.5 -55.52 24.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -37.8 -33.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.943 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.455 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -75.29 -54.56 6.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.639 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -46.57 -42.44 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.463 ' CB ' HG23 ' A' ' 22' ' ' VAL . . . -49.65 -49.62 46.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -62.73 -61.64 6.3 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CE2' ' HB3' ' A' ' 79' ' ' ASP . 0.7 OUTLIER -44.3 -37.58 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 110.952 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.468 HD21 ' CD2' ' A' ' 21' ' ' LEU . 8.9 mp -77.59 -44.58 27.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -58.44 -45.31 88.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.73 -36.25 76.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.03 -22.73 58.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.245 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.1 mt -88.86 -25.02 22.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.934 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.44 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.71 -37.81 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -53.35 52.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 m -55.59 -46.52 77.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.5 -24.16 61.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -73.84 -40.89 62.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.453 HD11 ' CD1' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -75.74 -23.98 56.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.91 -72.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -29.53 19.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.606 ' CD1' ' CB ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -60.27 -52.82 63.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.475 ' CG1' HG13 ' A' ' 86' ' ' VAL . 79.0 t -56.62 -60.04 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.465 ' CZ ' HG11 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -38.2 -50.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 m -66.17 -41.2 90.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.43 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 25' ' ' VAL . 1.2 m -65.45 -35.09 79.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.574 HG22 ' CE2' ' A' ' 47' ' ' PHE . 1.7 m -64.26 -71.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 35' ' ' HIS . . . -44.45 -39.32 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.6 m -62.46 -39.02 92.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.351 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.58 HG13 ' CZ ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -59.82 -29.78 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.438 HD13 ' CG1' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -90.68 -20.34 22.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.558 ' O ' ' CG ' ' A' ' 35' ' ' HIS . . . 127.25 -49.65 0.92 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CG ' ' O ' ' A' ' 34' ' ' GLY . 91.5 m-70 -160.54 -119.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 0.0 109.564 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 3.0 t0 85.81 -8.75 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.8 t0 61.14 121.01 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -18.61 18.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -82.58 0.13 44.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.86 20.98 15.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.474 ' CG1' HG22 ' A' ' 45' ' ' THR . 41.2 t -135.7 140.23 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -73.17 -179.86 3.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.37 -21.58 19.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 p -113.28 37.56 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.363 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.474 HG22 ' CG1' ' A' ' 41' ' ' VAL . 0.4 OUTLIER -89.2 157.24 48.16 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.382 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 131.18 13.98 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.45 1.763 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.653 ' CD2' ' NE2' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -82.6 -47.51 12.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -18.08 14.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.43 -32.81 58.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 47' ' ' PHE . 3.1 mt -66.65 -28.89 68.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.22 63.75 0.39 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.58 ' CZ ' HG13 ' A' ' 32' ' ' VAL . 3.1 m-85 -113.42 132.49 55.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.637 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -170.59 122.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 58' ' ' VAL . 7.8 m 37.38 -87.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.637 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -43.54 -70.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.15 -28.83 65.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.57 -28.72 67.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.9 t -91.06 -48.79 13.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.96 -37.51 9.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -73.56 -64.09 1.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.46 -25.4 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -73.28 -41.8 63.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 60' ' ' LEU . 30.1 tp -76.92 -33.49 57.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.8 mt -69.15 -10.37 57.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.36 -9.64 59.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.33 -23.52 22.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.606 ' CB ' ' CD1' ' A' ' 24' ' ' LEU . . . -94.69 1.12 55.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.434 ' CG2' HD11 ' A' ' 72' ' ' LEU . 3.6 p -127.87 -60.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.35 22.77 56.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.43 -177.77 4.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 3.6 ptp180 -86.8 106.82 17.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.434 HD11 ' CG2' ' A' ' 68' ' ' THR . 28.1 mt -96.16 157.82 35.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.5 ' O ' ' CD1' ' A' ' 76' ' ' LEU . 18.3 Cg_endo -75.03 150.24 37.71 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.759 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.2 p -85.44 -17.32 36.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -84.67 -11.93 54.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.415 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.55 ' C ' ' CD2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -51.16 -39.83 57.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.439 ' N ' HD22 ' A' ' 76' ' ' LEU . 2.7 t -62.48 -19.77 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.4 OUTLIER -113.25 -4.19 13.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.041 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 75' ' ' THR . 13.7 t0 -103.83 -17.95 14.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.653 ' NE2' ' CD2' ' A' ' 47' ' ' PHE . 4.1 p-80 -106.38 108.46 61.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.573 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.4 Cg_endo -75.03 -17.77 19.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.1 157.9 36.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.419 ' HB2' ' NH2' ' A' ' 26' ' ' ARG . . . -50.33 -47.91 55.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.61 -25.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.423 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -87.49 -53.94 4.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.57 ' HB ' ' CD2' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -54.99 -41.88 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.421 ' N ' HG11 ' A' ' 86' ' ' VAL . . . -53.47 -37.74 62.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -71.01 -61.62 3.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.02 -33.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.431 HD13 ' CD2' ' A' ' 72' ' ' LEU . 8.8 mp -78.28 -43.1 28.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 88' ' ' GLY . 2.6 t70 -62.92 -46.62 86.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.76 71.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -75.74 -24.87 56.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.453 ' CD1' HD11 ' A' ' 21' ' ' LEU . 8.0 mt -85.01 -26.64 26.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 111.017 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' A' ' 18' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 19' ' ' ALA . . . -60.78 -53.9 51.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -64.78 -57.76 8.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -48.27 -35.42 12.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.405 ' CB ' ' O ' ' A' ' 14' ' ' ARG . 52.4 m -83.67 -37.28 23.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -66.45 -27.99 68.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.29 -39.28 33.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.457 HD23 ' CD2' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -69.25 -31.04 69.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -65.35 -65.53 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -53.68 -19.93 4.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.407 ' CD2' ' C ' ' A' ' 24' ' ' LEU . 3.1 tt -82.09 -43.98 17.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.468 HG11 ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -70.28 -20.43 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.35 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -76.89 -47.65 20.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -77.85 -42.2 34.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.365 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.7 m -60.96 -34.02 74.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.642 ' CG2' ' CE2' ' A' ' 52' ' ' PHE . 3.3 m -71.26 -62.77 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.67 -30.3 3.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 43.0 m -64.28 -34.48 78.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.428 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' THR . 86.1 t -59.75 -37.31 70.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.568 HD12 ' CZ ' ' A' ' 52' ' ' PHE . 4.0 mt -67.68 -23.52 65.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.9 53.6 1.62 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.01 176.97 11.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 109.604 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -142.0 56.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.16 82.99 67.15 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' VAL . 18.4 Cg_endo -74.92 -19.64 17.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -51.74 -28.93 16.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.62 29.14 5.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' PRO . 78.4 t -127.92 139.95 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.408 ' N ' HG11 ' A' ' 41' ' ' VAL . 5.7 mtp85 -125.91 -174.96 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.54 -17.93 21.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.473 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 60.2 p -118.27 37.5 4.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.48 ' CG2' ' HD2' ' A' ' 46' ' ' PRO . 2.7 m -91.72 146.75 33.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 45' ' ' THR . 18.2 Cg_endo -75.01 104.34 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.58 ' CE1' HG22 ' A' ' 29' ' ' THR . 1.6 t80 -56.5 -46.85 80.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.38 -36.88 69.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 51' ' ' GLY . 3.4 mm-40 -65.45 -43.81 89.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.518 ' CB ' ' CE2' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -44.88 -26.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 49' ' ' GLU . . . 102.24 35.99 3.74 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.642 ' CE2' ' CG2' ' A' ' 29' ' ' THR . 29.3 m-85 -100.98 106.97 18.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.74 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' SER . 6.0 m-20 -95.28 178.77 5.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 53' ' ' ASP . 4.0 m -37.1 -37.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.48 -64.44 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.477 ' CB ' ' HA ' ' A' ' 52' ' ' PHE . . . -54.59 -42.23 70.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.407 ' CB ' HG13 ' A' ' 77' ' ' VAL . . . -58.74 -32.2 69.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -83.48 -57.46 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.418 ' N ' HG12 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -40.69 -35.22 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.463 HD21 ' CG2' ' A' ' 77' ' ' VAL . 2.0 tp -77.48 -45.46 25.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -60.93 -25.7 66.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.271 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.45 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 13.1 m120 -78.11 -31.39 49.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.43 -46.69 10.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.1 mt -56.17 -18.74 10.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -59.0 -19.79 46.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.03 -18.39 21.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.75 -35.49 67.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.416 ' CG2' HD21 ' A' ' 90' ' ' LEU . 1.6 p -106.26 -31.78 8.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.59 11.62 68.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.6 pp -129.8 177.08 7.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 0.752 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -85.28 99.5 11.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.8 mt -78.53 159.93 73.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.435 ' O ' ' CD1' ' A' ' 76' ' ' LEU . 18.2 Cg_endo -74.98 147.01 33.41 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.53 1.805 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.8 p -75.44 -21.88 57.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 78' ' ' PHE . 70.8 p -90.65 -1.16 57.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.433 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.569 ' C ' ' CD2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -52.26 -40.47 61.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.517 HG22 ' CE2' ' A' ' 47' ' ' PHE . 1.0 OUTLIER -69.06 -19.95 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 75' ' ' THR . 1.2 m-85 -91.88 -51.38 5.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -59.34 -29.63 67.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -94.9 113.46 61.33 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.622 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -33.14 4.85 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.545 1.813 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.473 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -140.06 162.57 34.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 85' ' ' ALA . . . -52.17 -51.75 56.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -37.54 -31.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.953 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -83.79 -52.1 6.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.574 HG22 ' CE1' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -47.18 -41.83 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.416 ' N ' HG11 ' A' ' 86' ' ' VAL . . . -53.43 -43.16 67.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.13 -59.35 7.52 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -44.3 -33.98 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 0.796 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.457 ' CD2' HD23 ' A' ' 21' ' ' LEU . 3.3 mp -81.96 -47.78 12.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -55.32 -48.65 73.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.04 -38.44 70.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -70.87 -26.57 63.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.7 mt -86.44 -24.91 25.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.11 . . . . 0.0 111.013 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.73 -72.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 5.1 mm-40 -41.17 -45.35 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -61.53 -56.15 23.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.348 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 m -58.55 -47.69 83.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.367 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.54 -21.82 65.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 0.7 OUTLIER -78.5 -43.24 27.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.477 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -58.26 -46.46 85.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.343 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.468 HG23 ' CB ' ' A' ' 87' ' ' ALA . 54.9 t -58.87 -64.06 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -42.22 -29.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -87.01 -42.78 12.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 21' ' ' LEU . 96.7 t -53.96 -41.57 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.446 ' NE ' ' O ' ' A' ' 41' ' ' VAL . 2.1 ttp180 -62.69 -72.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.4 m -49.18 -46.24 45.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 82.6 p -48.47 -42.66 33.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.579 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 16.8 m -72.2 -64.76 0.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.473 ' HB1' ' CD2' ' A' ' 35' ' ' HIS . . . -47.47 -32.42 5.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.5 m -60.97 -34.63 75.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.4 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 29' ' ' THR . 3.4 p -70.6 -24.42 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.489 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 2.2 mm? -76.41 -34.83 58.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.71 -5.31 32.74 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.521 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.0 OUTLIER -95.05 -17.1 22.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.618 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.521 ' C ' ' O ' ' A' ' 35' ' ' HIS . 10.0 t70 30.68 45.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.232 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 35' ' ' HIS . 76.1 m-20 -113.97 96.94 43.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.17 18.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.792 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -19.42 63.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.87 -4.72 27.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.446 ' O ' ' NE ' ' A' ' 26' ' ' ARG . 94.3 t -117.24 142.96 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -117.96 175.51 5.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.74 -22.99 36.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.477 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 8.1 p -115.26 35.32 4.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.8 150.84 37.19 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 110.396 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 101.86 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 47' ' ' PHE . 6.0 p90 -56.67 -25.81 54.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -15.87 62.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -94.24 -23.23 17.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.0 mt -67.36 -27.65 67.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.39 57.26 0.27 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.579 ' CZ ' HG23 ' A' ' 29' ' ' THR . 3.2 m-85 -123.77 147.57 47.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -148.57 -71.68 0.2 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.2 m -138.42 -66.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.2 -45.91 72.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.482 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -65.2 -39.57 93.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.83 -26.39 66.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -87.33 -54.95 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.51 -34.76 5.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.575 HD21 ' CE2' ' A' ' 52' ' ' PHE . 17.6 tp -68.5 -52.69 29.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -39.84 25.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -73.46 -25.85 60.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.6 tt -83.53 -30.51 27.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.472 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 6.4 mt -76.15 -19.81 58.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.07 -15.79 26.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.64 -17.52 20.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.71 -30.2 36.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.428 ' CG2' ' HB3' ' A' ' 90' ' ' LEU . 2.8 p -111.06 -51.53 2.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.1 16.45 50.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 93' ' ' GLU . 1.4 pp -131.46 -174.99 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.477 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 1.1 ptp180 -79.47 98.89 6.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.496 ' CD1' ' CD2' ' A' ' 90' ' ' LEU . 34.8 mt -82.79 159.73 62.72 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.566 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.4 Cg_endo -75.01 144.69 30.52 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.0 t -78.58 -17.63 55.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.965 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 78' ' ' PHE . 7.8 p -89.66 -1.71 58.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.411 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.451 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 2.6 tt -39.22 -56.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.533 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . 50.4 t -85.42 44.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.5 OUTLIER -156.09 -41.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.76 -11.0 37.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.554 ' C ' ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -90.7 139.66 26.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.603 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.416 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -74.98 -58.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.549 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 54.4 m-80 -128.45 -97.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -143.25 -31.27 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.34 -33.64 54.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.416 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -81.24 -41.77 21.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.525 ' CG2' ' CG ' ' A' ' 80' ' ' HIS . 95.0 t -48.61 -43.92 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.468 ' CB ' HG23 ' A' ' 22' ' ' VAL . . . -54.93 -51.85 64.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.37 -59.87 7.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -49.06 -38.63 24.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 111.06 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.496 ' CD2' ' CD1' ' A' ' 72' ' ' LEU . 8.8 mt -73.88 -37.53 64.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.77 -45.91 70.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.2 79.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.498 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 3.8 mm-40 -69.56 -28.09 65.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.2 mt -88.96 -22.75 22.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.508 1.13 . . . . 0.0 111.056 -179.979 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.468 ' O ' ' CB ' ' A' ' 18' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.25 -69.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -49.47 -55.31 13.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -37.69 62.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.468 ' CB ' ' O ' ' A' ' 14' ' ' ARG . 16.1 m -72.93 -37.47 67.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.428 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.71 -18.48 54.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -79.62 -49.63 11.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.472 HD13 ' CB ' ' A' ' 90' ' ' LEU . 0.5 OUTLIER -45.93 -52.69 11.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.953 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 87' ' ' ALA . 12.9 t -57.41 -71.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.4 mtt85 -42.24 -27.69 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.449 HD23 ' CB ' ' A' ' 67' ' ' ALA . 1.1 tp -76.47 -58.44 3.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.47 ' CG1' HG11 ' A' ' 86' ' ' VAL . 57.3 t -42.53 -49.93 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -46.89 -62.74 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' ' 31' ' ' THR . 13.3 m -48.79 -35.32 14.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.415 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 t -68.32 -45.2 73.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.584 ' OG1' ' CE2' ' A' ' 47' ' ' PHE . 18.9 m -55.53 -73.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.87 -31.09 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 27' ' ' THR . 3.2 m -73.17 -38.84 66.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 29' ' ' THR . 2.7 p -59.4 -22.19 22.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.418 ' N ' HG13 ' A' ' 32' ' ' VAL . 1.8 mt -90.46 -20.43 22.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.76 43.06 3.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -148.58 169.73 19.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 0.755 . . . . 0.0 109.623 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -127.8 75.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -141.2 80.1 17.14 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -18.26 18.77 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.85 10.21 27.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.22 -14.13 15.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.427 ' CG1' ' CG ' ' A' ' 26' ' ' ARG . 10.8 p -117.81 161.02 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.442 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 1.7 mtm180 -118.61 168.15 10.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.411 ' HA ' ' NH1' ' A' ' 26' ' ' ARG . . . -79.51 -16.39 56.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 p -116.26 29.88 7.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -110.84 141.48 24.23 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.433 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 49' ' ' GLU . 18.4 Cg_endo -74.96 108.77 2.79 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 83' ' ' ALA . 8.7 m-30 -49.0 -20.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -71.6 -31.19 66.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -54.45 -19.09 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.534 ' CD1' ' HA ' ' A' ' 47' ' ' PHE . 1.4 mp -97.51 -17.48 19.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 52' ' ' PHE . . . 127.88 -44.22 1.25 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.533 ' CE2' HD22 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -35.76 135.15 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.997 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 32.5 t0 -170.13 -56.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 57' ' ' ALA . 93.7 p -116.19 -84.4 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.983 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.42 ' N ' ' OG ' ' A' ' 54' ' ' SER . 11.9 mt -41.71 -45.7 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.5 ' O ' ' CG2' ' A' ' 32' ' ' VAL . . . -72.81 -36.55 67.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 53' ' ' ASP . . . -62.5 -38.1 88.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.8 t -76.63 -32.81 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -83.02 -16.05 48.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 110.321 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.533 HD22 ' CE2' ' A' ' 52' ' ' PHE . 9.3 tp -78.58 -50.71 11.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -54.82 -59.04 5.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -44.97 -27.74 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.408 ' N ' ' C ' ' A' ' 61' ' ' ARG . 0.8 OUTLIER -90.42 -38.73 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.267 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.49 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 11.2 mt -74.45 -5.05 40.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -66.74 -38.6 86.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.57 -5.26 59.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.449 ' CB ' HD23 ' A' ' 24' ' ' LEU . . . -80.64 -30.93 36.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.451 ' CG2' HD21 ' A' ' 90' ' ' LEU . 1.2 p -115.66 -39.04 3.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.67 -4.36 24.55 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.493 ' CD1' ' CD ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -119.35 -169.57 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.764 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.499 ' O ' ' O ' ' A' ' 72' ' ' LEU . 14.4 mtm180 -94.27 2.24 55.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.576 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 19.1 mt 52.87 165.01 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 72' ' ' LEU . 18.4 Cg_endo -75.02 133.28 16.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.435 ' O ' ' NH2' ' A' ' 61' ' ' ARG . 57.0 p -56.13 -24.17 39.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.005 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 79' ' ' ASP . 60.7 p -90.52 1.81 56.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.422 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.439 ' CD2' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -40.01 -76.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.439 HG12 ' CD2' ' A' ' 76' ' ' LEU . 32.2 m -59.11 -16.72 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 75' ' ' THR . 4.5 t80 -84.34 -10.39 57.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 75' ' ' THR . 10.5 t0 -127.07 -1.88 6.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -110.84 103.34 54.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.615 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -74.99 -51.0 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -122.07 167.51 13.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.59 ' HB3' ' CE1' ' A' ' 47' ' ' PHE . . . -56.87 -55.55 33.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' ALA . 1.3 t -38.26 -41.48 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.473 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -68.53 -63.08 1.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.529 HG23 ' CG ' ' A' ' 80' ' ' HIS . 0.4 OUTLIER -41.53 -49.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.495 ' N ' ' CG1' ' A' ' 86' ' ' VAL . . . -44.76 -55.35 5.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.09 -60.0 8.69 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.7 -34.26 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.576 ' CD2' ' CD2' ' A' ' 72' ' ' LEU . 75.7 mt -76.9 -38.66 53.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -68.39 -45.74 71.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.33 -36.63 80.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.493 ' CD ' ' CD1' ' A' ' 70' ' ' LEU . 1.2 tp10 -69.95 -27.91 65.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.471 ' CD1' HD21 ' A' ' 21' ' ' LEU . 8.8 mt -90.08 -21.81 22.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.452 ' C ' ' NH2' ' A' ' 14' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.445 1.091 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.57 -65.98 0.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLU . 5.9 mm-40 -38.71 -54.86 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -55.24 -54.77 39.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.402 ' OG1' ' OD1' ' A' ' 91' ' ' ASP . 36.8 m -56.59 -43.18 79.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.41 -13.65 60.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' GLU . 9.2 tt0 -87.33 -41.37 13.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -38.67 80.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.406 ' CG2' ' HB2' ' A' ' 87' ' ' ALA . 3.0 t -54.46 -62.22 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.65 -41.7 22.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 tp -67.49 -52.56 37.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.473 HG13 ' CG1' ' A' ' 86' ' ' VAL . 31.3 t -46.81 -38.08 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -71.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 31' ' ' THR . 1.4 p -43.77 -43.29 6.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.34 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.467 ' CA ' HD22 ' A' ' 63' ' ' LEU . 3.5 m -59.45 -48.18 82.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.573 HG22 ' CZ ' ' A' ' 52' ' ' PHE . 100.0 m -55.03 -59.36 4.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.91 -36.1 78.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.409 ' CG2' HD23 ' A' ' 63' ' ' LEU . 1.3 m -55.55 -38.57 69.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 60' ' ' LEU . 6.6 t -60.83 -27.38 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 5.6 mt -86.09 -12.07 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.229 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.86 24.28 76.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.6 OUTLIER -85.41 -13.64 48.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.619 179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' HIS . 6.5 m-20 37.41 65.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -178.3 120.22 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -19.2 18.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.444 1.76 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -63.45 -16.52 60.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.85 27.46 5.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.1 p -168.03 158.24 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -138.44 175.26 9.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.17 -29.54 34.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.7 p -113.49 39.5 2.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.403 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 1.5 m -108.07 143.66 27.82 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.464 ' HG2' ' CG ' ' A' ' 49' ' ' GLU . 18.3 Cg_endo -74.99 140.7 25.79 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 48' ' ' LYS . 7.9 p90 -67.01 -33.1 74.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.536 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -70.12 -7.92 45.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' CG ' ' HG2' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -88.71 -33.74 17.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.533 HD13 ' CD2' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -90.92 -10.55 42.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.54 64.96 1.15 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.573 ' CZ ' HG22 ' A' ' 29' ' ' THR . 1.4 m-30 -121.19 138.34 54.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 5.3 m-20 -156.14 -86.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 57' ' ' ALA . 8.9 p -111.93 -79.73 0.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.961 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.43 -46.03 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.57 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . . . -70.49 -40.26 73.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.491 ' HB2' ' CG1' ' A' ' 77' ' ' VAL . . . -62.42 -40.37 96.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.178 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.423 HG12 ' ND2' ' A' ' 62' ' ' ASN . 2.2 t -67.64 -54.7 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.605 ' HA ' ' OD1' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -56.7 -20.53 22.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.478 HD22 ' CE2' ' A' ' 52' ' ' PHE . 45.2 tp -81.42 -41.93 21.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -68.69 -61.35 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.318 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.605 ' OD1' ' HA ' ' A' ' 59' ' ' ARG . 2.7 p30 -51.35 -24.92 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.467 HD22 ' CA ' ' A' ' 28' ' ' SER . 52.7 tp -85.82 -43.32 13.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.1 mt -72.38 -6.13 41.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.3 -22.17 66.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.29 -15.74 22.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.25 -24.65 59.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.458 ' HB ' ' CD2' ' A' ' 70' ' ' LEU . 36.8 p -129.89 -44.35 1.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.373 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.74 -11.74 15.53 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.458 ' CD2' ' HB ' ' A' ' 68' ' ' THR . 0.6 OUTLIER -95.89 -174.66 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' A' ' 72' ' ' LEU . 3.7 ptp180 -92.96 6.2 48.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 71' ' ' ARG . 1.8 mp 55.11 164.65 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.567 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -75.0 143.64 29.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.0 p -66.44 -24.96 66.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.974 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 78' ' ' PHE . 44.9 p -91.04 4.48 52.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.501 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 4.3 tp -41.38 -61.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.491 ' CG1' ' HB2' ' A' ' 57' ' ' ALA . 86.9 t -87.36 25.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.1 OUTLIER -139.97 9.5 2.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.4 OUTLIER -140.45 -37.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.72 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -87.57 121.59 70.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.585 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.455 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -127.1 -173.95 3.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -77.89 -43.45 30.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.89 -26.95 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 83' ' ' ALA . . . -83.97 -44.57 14.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.72 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 2.7 t -48.16 -50.07 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.406 ' HB2' ' CG2' ' A' ' 22' ' ' VAL . . . -45.94 -49.67 15.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.9 -57.24 20.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.1 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.567 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -51.57 -27.98 12.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.754 . . . . 0.0 110.962 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.448 ' CD2' HG21 ' A' ' 68' ' ' THR . 72.6 mt -85.04 -41.93 15.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.402 ' OD1' ' OG1' ' A' ' 18' ' ' THR . 5.2 t70 -56.45 -47.65 78.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.09 -35.04 74.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -73.52 -25.4 60.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.7 mt -89.75 -23.24 21.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.985 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.9 -82.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -43.28 -32.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -62.83 -52.75 61.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.0 m -61.64 -48.09 82.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.422 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.36 -27.6 67.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 3.8 tt0 -69.04 -45.39 70.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.469 ' CD2' HD13 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -60.16 -36.43 77.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.463 ' CG2' ' CB ' ' A' ' 87' ' ' ALA . 40.4 t -62.57 -63.86 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.3 ttt-85 -55.79 -23.75 31.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.348 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.445 HD23 ' CB ' ' A' ' 67' ' ' ALA . 6.2 tt -80.75 -65.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.465 HG12 ' CG1' ' A' ' 86' ' ' VAL . 0.3 OUTLIER -42.8 -33.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.46 ' HG2' ' CG1' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -68.42 -64.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.3 m -51.6 -38.54 55.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.468 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 t -62.13 -54.17 45.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.054 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.573 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 24.4 m -59.59 -46.84 87.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.419 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.72 -29.68 70.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 m -72.58 -34.72 67.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.6 t -62.95 -14.24 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -101.0 17.83 21.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.72 51.01 40.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -156.21 120.63 4.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.613 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.56 63.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.31 85.75 31.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -20.75 16.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.033 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -16.76 25.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.62 -17.77 20.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -78.97 -167.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.628 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 30.9 ttm-85 -153.13 -81.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.628 ' CB ' ' O ' ' A' ' 42' ' ' ARG . . . 153.72 -22.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 p -118.15 16.2 14.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.89 145.58 44.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 117.52 4.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.538 1.809 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -59.69 -23.14 62.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -57.06 -36.08 70.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.41 -16.82 59.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.42 -17.72 53.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.38 85.47 0.85 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.537 1.148 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.573 ' CZ ' HG23 ' A' ' 29' ' ' THR . 0.4 OUTLIER -131.53 138.75 49.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.986 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -135.49 -175.63 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.418 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 3.5 m -56.85 -17.6 9.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.029 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.02 -53.16 4.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.1 -40.75 91.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.47 -36.73 85.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 54' ' ' SER . 2.4 t -72.5 -54.06 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -23.02 15.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.432 ' CD1' ' HG ' ' A' ' 64' ' ' LEU . 1.5 tm? -80.25 -51.6 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -28.27 49.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -74.27 -23.21 59.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 tt -89.43 -45.44 9.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.46 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 4.0 mt -51.06 -23.21 2.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -19.58 17.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.16 -21.73 24.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.445 ' CB ' HD23 ' A' ' 24' ' ' LEU . . . -87.25 -13.17 44.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.485 HG23 ' CD1' ' A' ' 90' ' ' LEU . 23.4 p -139.19 -71.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.91 16.53 25.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 pp -114.74 -170.2 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -82.06 102.18 10.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 59.7 mt -79.75 146.96 65.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.521 ' CG ' ' CE1' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -74.95 153.47 42.07 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.6 p -77.75 -20.93 52.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 78' ' ' PHE . 47.0 p -91.36 -3.48 56.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.481 HD11 ' CG2' ' A' ' 77' ' ' VAL . 0.3 OUTLIER -45.05 -48.86 11.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.532 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 53.9 t -88.97 36.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 75' ' ' THR . 3.5 t80 -148.19 -42.46 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 111.031 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.27 -11.04 53.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.571 ' CG ' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -103.14 106.42 50.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.613 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.478 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.1 Cg_endo -75.03 -24.79 12.43 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.99 162.13 38.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.74 -54.36 29.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.67 -33.87 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 110.038 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.478 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -87.35 -46.78 9.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.571 ' CG2' ' CG ' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -53.34 -41.26 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.463 ' CB ' ' CG2' ' A' ' 22' ' ' VAL . . . -52.37 -44.22 65.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 89' ' ' PHE . . . -65.2 -59.6 7.72 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.116 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.633 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -37.42 -45.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 0.788 . . . . 0.0 111.042 179.973 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.588 ' HG ' ' CZ ' ' A' ' 89' ' ' PHE . 1.2 mt -74.1 -59.49 2.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -43.24 -52.29 5.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.73 -39.69 58.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.7 tt0 -77.42 -22.18 51.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.4 mt -84.33 -28.17 27.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.973 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.88 -61.01 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 20' ' ' GLU . 13.5 mm-40 -55.37 -39.95 70.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' HD3' ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -63.18 -47.25 83.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 m -64.29 -45.35 88.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.385 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.9 -22.08 61.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' GLU . 4.2 tt0 -74.85 -41.42 59.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.445 ' CD1' ' HD3' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -67.79 -32.95 73.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.456 HG22 ' CB ' ' A' ' 87' ' ' ALA . 5.1 t -64.94 -51.21 69.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -38.81 71.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' O ' ' CB ' ' A' ' 28' ' ' SER . 2.6 tm? -74.84 -37.01 62.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.466 ' CG1' HG12 ' A' ' 86' ' ' VAL . 2.2 t -56.11 -53.82 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -63.95 -71.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' ARG . 3.8 m -38.27 -31.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 36.9 t -80.62 -51.16 9.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.44 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 98.9 m -48.31 -34.67 10.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.6 -31.39 28.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' GLY . 41.5 m -72.78 -52.45 14.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.446 ' CG1' ' O ' ' A' ' 28' ' ' SER . 0.5 OUTLIER -45.11 -50.43 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.515 ' CD1' ' O ' ' A' ' 51' ' ' GLY . 13.3 mt -67.14 -29.22 68.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.554 ' O ' ' CG ' ' A' ' 35' ' ' HIS . . . 146.41 -62.33 0.46 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.577 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 36.1 m-70 -159.66 -127.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.75 . . . . 0.0 109.594 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.577 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.5 t70 88.23 -16.8 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 36' ' ' ASP . 0.3 OUTLIER 58.95 155.72 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -21.12 16.1 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.466 1.772 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -28.98 70.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.61 40.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.1 p -175.88 147.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.04 176.81 5.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.01 -22.68 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -112.57 36.18 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -105.87 156.15 37.11 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.35 12.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.547 1.814 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.474 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 26.2 p90 -76.8 -30.82 56.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -67.22 -10.98 56.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.72 -29.56 12.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -86.09 -13.78 46.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.515 ' O ' ' CD1' ' A' ' 33' ' ' LEU . . . 117.97 121.69 3.14 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CD1' ' HB2' ' A' ' 56' ' ' ALA . 0.1 OUTLIER 169.25 146.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 111.018 179.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.25 -76.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' VAL . 38.4 m -130.76 -65.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.43 -55.45 8.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.569 ' HB2' ' CD1' ' A' ' 52' ' ' PHE . . . -66.66 -32.31 73.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.487 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -66.29 -31.32 72.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.3 t -84.71 -59.54 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.59 -34.8 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.474 HD21 ' CG2' ' A' ' 77' ' ' VAL . 12.4 tp -67.89 -68.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.05 -29.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 60' ' ' LEU . 4.9 m-80 -74.52 -53.27 9.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 60' ' ' LEU . 2.1 tt -66.4 -44.65 82.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' ALA . 5.9 mt -44.35 -30.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -50.5 -35.73 30.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.84 -29.83 70.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . -83.25 -22.84 32.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.475 ' HB ' ' CD1' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -121.47 -88.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 -179.944 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.21 12.83 7.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.565 ' CD2' ' C ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -121.98 -173.61 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 109.314 179.938 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -81.35 81.54 7.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.475 ' HG ' ' CD2' ' A' ' 70' ' ' LEU . 19.6 mt -62.94 160.15 40.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.502 ' CD ' ' HE1' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.02 148.63 35.48 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.0 m -81.1 -21.61 39.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 79' ' ' ASP . 33.8 p -92.27 2.69 56.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.592 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -53.68 -40.81 66.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.542 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 2.1 t -79.82 1.68 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -119.05 -12.58 9.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.4 OUTLIER -108.45 -8.37 15.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.614 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -112.27 103.19 55.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.592 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.458 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.03 -22.26 14.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -152.63 168.68 24.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.88 -54.62 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.19 -27.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.458 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -88.16 -47.65 8.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.58 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -55.02 -46.21 77.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.456 ' CB ' HG22 ' A' ' 22' ' ' VAL . . . -46.82 -51.08 17.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -57.61 -57.42 19.88 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.123 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.592 ' CZ ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -45.7 -48.67 15.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 0.745 . . . . 0.0 111.008 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.583 ' HG ' ' CE2' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -60.79 -48.04 83.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -50.07 -23.65 2.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.85 -34.2 30.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 90' ' ' LEU . 6.3 mm-40 -73.48 -29.62 62.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 mt -91.38 -20.16 22.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.445 1.091 . . . . 0.0 111.0 -179.997 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.15 -70.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLU . 3.1 mp0 -41.61 -49.0 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -57.13 -54.56 45.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 m -60.4 -42.65 96.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.07 -22.96 63.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.8 tt0 -76.31 -49.63 16.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.477 ' O ' ' CG1' ' A' ' 25' ' ' VAL . 2.5 mm? -46.39 -57.04 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 25' ' ' VAL . 99.4 t -53.23 -62.76 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 27' ' ' THR . 5.1 mmp_? -41.11 -25.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -90.83 -47.92 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 22' ' ' VAL . 1.5 m -57.27 -37.23 55.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -77.19 -71.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.406 ' O ' ' CB ' ' A' ' 31' ' ' THR . 39.0 m -39.21 -50.12 1.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.9 m -61.99 -56.11 22.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.431 HG22 ' CD1' ' A' ' 50' ' ' LEU . 2.0 m -46.29 -62.98 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.18 -37.49 69.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 27' ' ' THR . 3.5 m -64.13 -36.52 84.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.6 t -60.5 -53.15 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 31.0 mt -54.73 -26.54 34.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.22 30.64 4.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.147 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -136.49 101.9 4.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.732 . . . . 0.0 109.603 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -83.27 73.09 10.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.91 97.8 1.68 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -23.34 14.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.551 1.816 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -13.16 58.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -104.46 36.37 2.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.7 p -174.94 152.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.79 -176.21 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.73 -14.65 19.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 p -108.06 20.57 18.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.401 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.59 148.78 55.84 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.449 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.49 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -75.03 104.75 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 80' ' ' HIS . 28.1 p90 -46.68 -24.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -59.64 -22.59 62.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.242 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -90.31 -6.9 54.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.499 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 39.0 mt -92.13 33.98 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 43.81 28.81 1.23 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 56' ' ' ALA . 2.4 m-30 -99.21 140.03 33.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -158.74 -66.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' VAL . 58.5 m -129.4 -80.79 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.4 -62.2 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.556 ' HB2' ' CD1' ' A' ' 52' ' ' PHE . . . -58.95 -30.73 68.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.464 ' HB2' ' CG1' ' A' ' 77' ' ' VAL . . . -69.7 -29.76 67.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.5 t -90.37 -23.93 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -28.51 63.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 tp -90.73 -28.83 18.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -73.14 -27.01 61.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.444 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -83.66 -23.18 31.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 tt -87.97 -46.41 9.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.477 ' CD2' HD21 ' A' ' 24' ' ' LEU . 12.9 mt -59.72 -16.17 25.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -58.53 -17.79 24.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -106.17 21.13 17.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.483 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . . . -132.7 11.6 4.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.472 HG21 ' CD2' ' A' ' 90' ' ' LEU . 1.1 p -147.49 -53.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.46 3.49 22.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.428 ' CD2' ' HG2' ' A' ' 93' ' ' GLU . 0.6 OUTLIER -121.92 179.16 4.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.472 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -83.59 3.11 34.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.472 ' O ' ' O ' ' A' ' 71' ' ' ARG . 0.5 OUTLIER 56.57 156.09 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.54 ' CG ' ' CE1' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.03 152.94 41.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 94.8 p -77.17 -24.36 51.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.093 . . . . 0.0 109.948 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 78' ' ' PHE . 18.7 p -92.75 1.85 57.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 110.42 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 0.5 OUTLIER -45.63 -47.49 14.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.49 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 69.0 t -90.88 36.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -144.36 -43.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.37 -8.39 57.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.578 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -104.53 105.45 50.18 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.563 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -75.02 -31.87 5.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -143.03 171.03 14.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -62.91 -52.37 63.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.81 -25.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.447 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -90.18 -32.94 16.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.571 HG21 ' CD2' ' A' ' 80' ' ' HIS . 0.4 OUTLIER -65.21 -49.85 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.958 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.492 ' N ' ' CG1' ' A' ' 86' ' ' VAL . . . -47.82 -43.54 28.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.2 -54.13 34.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.693 ' CE2' ' HG ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -48.24 -40.78 25.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 0.722 . . . . 0.0 110.985 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.693 ' HG ' ' CE2' ' A' ' 89' ' ' PHE . 12.0 mt -75.41 -53.71 8.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 95' ' ' GLY . 2.5 t70 -46.16 -52.16 12.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.32 -35.63 74.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.428 ' HG2' ' CD2' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -71.37 -27.72 63.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.4 mt -90.08 -21.21 22.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.91 -69.19 0.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -55.73 -42.41 75.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -54.59 -55.55 28.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.7 m -64.37 -45.02 89.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.72 -17.3 55.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -89.3 -45.9 9.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.7 -55.96 26.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 25' ' ' VAL . 79.6 t -51.92 -67.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' O ' ' OG1' ' A' ' 27' ' ' THR . 0.0 OUTLIER -38.78 -42.39 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.0 tt -70.86 -47.85 57.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 22' ' ' VAL . 9.5 t -51.06 -67.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.424 ' NH1' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -45.14 -68.89 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 31' ' ' THR . 27.4 m -39.13 -48.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.446 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.2 t -63.26 -57.24 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.538 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 3.6 m -53.27 -30.01 36.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.351 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.42 -29.46 22.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' THR . 20.8 m -73.68 -52.03 14.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.454 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 p -48.99 -51.36 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 29' ' ' THR . 9.1 mt -53.75 -26.45 23.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 31' ' ' THR . . . 98.86 49.12 1.67 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -147.55 167.42 24.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 0.733 . . . . 0.0 109.637 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -144.09 47.34 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.07 80.59 64.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -19.09 18.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -3.51 35.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.472 ' O ' ' CG2' ' A' ' 41' ' ' VAL . . . -118.55 38.29 3.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 40' ' ' ALA . 67.9 t -156.74 136.36 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.45 166.91 11.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.31 -19.37 28.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -111.9 32.03 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -93.68 159.22 35.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 133.39 16.53 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.55 1.816 . . . . 0.0 111.05 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.61 ' CG ' ' N ' ' A' ' 48' ' ' LYS . 12.4 p90 -70.5 -46.59 63.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 111.049 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.61 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -56.63 -18.66 12.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -77.8 -36.2 50.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 33' ' ' LEU . 13.9 mt -56.18 -34.62 66.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.54 37.06 0.8 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.578 ' CD2' HG11 ' A' ' 77' ' ' VAL . 5.5 m-85 -97.26 153.14 18.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.784 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.06 -74.84 0.2 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.5 m -140.41 -52.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.7 -51.12 64.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.45 88.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.14 -36.89 75.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.3 t -70.83 -56.95 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -37.21 18.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.02 -54.79 36.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.404 ' NH1' HD22 ' A' ' 65' ' ' ASN . 0.1 OUTLIER -47.64 -51.21 22.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -50.67 -30.8 14.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.05 -40.35 13.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.46 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 2.8 mt -57.75 -32.19 67.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.404 HD22 ' NH1' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -60.95 -19.99 61.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.67 -15.92 20.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.86 -35.5 74.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.241 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.7 p -119.15 -39.35 2.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.7 -2.33 32.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 94' ' ' LEU . 1.1 pp -111.77 -174.74 2.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.75 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.41 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 10.7 ptp85 -85.94 -178.55 6.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.466 ' CD2' ' HG ' ' A' ' 90' ' ' LEU . 77.3 mt -155.42 158.04 31.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 151.3 39.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.2 t -71.58 -18.32 62.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.03 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 78' ' ' PHE . 24.2 p -89.86 -5.71 56.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.398 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.478 ' CD2' HG21 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -40.58 -58.44 1.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.335 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.578 HG11 ' CD2' ' A' ' 52' ' ' PHE . 70.5 t -87.94 38.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.481 ' N ' ' O ' ' A' ' 75' ' ' THR . 7.4 t80 -143.84 -44.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.59 -15.8 36.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.556 ' C ' ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -90.23 127.59 52.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.61 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.01 -47.44 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.539 1.81 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.1 178.43 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.424 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . . . -63.58 -48.43 77.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -38.93 -36.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -75.58 -54.6 6.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -47.28 -46.68 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.443 ' N ' ' CG1' ' A' ' 86' ' ' VAL . . . -49.3 -46.27 46.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.55 -63.48 4.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.49 ' O ' ' CG ' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -39.47 -39.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 111.012 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.466 ' HG ' ' CD2' ' A' ' 72' ' ' LEU . 2.6 mp -75.76 -49.7 17.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.513 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 0.7 OUTLIER -56.86 -35.82 69.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.245 -179.961 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.25 -32.44 55.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 5.7 mm-40 -76.16 -28.42 57.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.513 ' CD2' ' HA ' ' A' ' 91' ' ' ASP . 4.1 pp -91.07 -23.16 20.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.996 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.436 ' NH1' ' O ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.53 -55.92 21.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 9.5 mm-40 -55.34 -36.19 66.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ttm-85 -68.17 -48.42 65.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.6 m -67.62 -50.16 59.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.77 -15.26 52.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 5.7 tt0 -89.17 -55.27 3.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.475 ' CD2' HD13 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -61.85 -38.93 90.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.465 HG21 ' CB ' ' A' ' 87' ' ' ALA . 2.4 t -53.36 -74.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -42.02 -33.2 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.42 ' HG ' ' N ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -70.61 -54.42 12.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.42 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 90.9 t -47.79 -47.09 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -53.91 -61.75 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 m -60.42 -22.83 63.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 p -73.41 -36.66 66.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.582 ' CG2' ' CE2' ' A' ' 52' ' ' PHE . 2.6 m -76.37 -51.68 11.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.417 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.48 -32.49 3.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.5 m -58.56 -34.1 70.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.388 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.511 ' CG1' ' CB ' ' A' ' 56' ' ' ALA . 13.2 t -65.3 -20.09 26.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 54.9 mt -102.1 28.05 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 38.59 47.0 2.21 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -131.9 159.39 38.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 109.606 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.33 64.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -165.75 112.06 0.77 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -18.52 18.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -19.28 43.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.58 31.73 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -176.14 157.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.5 178.96 4.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.24 -28.24 21.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.3 p -115.0 41.22 2.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.424 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.48 157.26 34.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 111.68 3.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.444 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 8.8 p90 -58.67 -14.66 8.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.04 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.47 -10.05 59.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -95.72 -28.14 14.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.958 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.498 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 4.1 pp -79.72 -16.37 55.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.76 115.92 2.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.582 ' CE2' ' CG2' ' A' ' 29' ' ' THR . 0.1 OUTLIER -156.07 144.65 20.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.754 . . . . 0.0 111.032 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.543 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 65.5 m-20 -153.38 -175.16 5.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -59.31 -15.5 16.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.005 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.55 -58.0 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.511 ' CB ' ' CG1' ' A' ' 32' ' ' VAL . . . -66.21 -36.46 83.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 53' ' ' ASP . . . -65.8 -37.04 85.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 t -75.17 -32.67 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -72.09 -24.91 61.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.456 HD21 ' CZ ' ' A' ' 52' ' ' PHE . 10.4 tp -77.88 -57.78 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.452 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 5.7 tmm_? -53.45 -22.96 8.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -83.22 -27.38 30.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 60' ' ' LEU . 30.5 tp -89.1 -41.27 12.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.8 mt -50.97 -22.54 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 61' ' ' ARG . 3.2 m-80 -53.61 -32.58 51.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.69 18.73 6.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -115.96 -9.81 11.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.177 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.3 p -150.09 -45.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.421 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 123.83 -17.94 7.63 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.407 ' O ' ' OD1' ' A' ' 65' ' ' ASN . 0.3 OUTLIER -93.74 -169.31 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.779 . . . . 0.0 109.327 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.609 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -102.81 0.32 32.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.153 . . . . 0.0 110.303 179.957 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.609 ' O ' ' O ' ' A' ' 71' ' ' ARG . 0.3 OUTLIER 48.85 167.32 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.401 ' HG2' ' CB ' ' A' ' 76' ' ' LEU . 18.3 Cg_endo -74.99 148.66 35.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.809 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.42 ' HB3' ' NH2' ' A' ' 61' ' ' ARG . 26.8 p -81.49 -20.99 39.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.1 p -92.8 3.64 55.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.427 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -64.18 -59.92 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.472 ' N ' ' HG ' ' A' ' 76' ' ' LEU . 2.6 p -39.48 -29.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.445 ' N ' ' C ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -94.93 -44.14 7.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.438 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 9.9 t0 -65.36 -19.8 66.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.651 ' CG ' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -102.7 110.38 63.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.562 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.461 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.02 -27.47 9.96 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.449 1.763 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.13 170.92 16.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.47 -45.17 95.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.94 -29.77 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.461 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -73.63 -60.57 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.651 ' CG2' ' CG ' ' A' ' 80' ' ' HIS . 63.4 t -39.85 -49.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.465 ' CB ' HG21 ' A' ' 22' ' ' VAL . . . -45.87 -50.27 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -58.67 -68.43 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.3 OUTLIER -37.18 -33.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 0.74 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.475 HD13 ' CD2' ' A' ' 21' ' ' LEU . 19.5 mt -85.28 -52.16 6.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.83 -33.75 57.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.88 72.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -76.33 -24.4 54.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.5 mt -90.01 -22.12 22.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.436 ' O ' ' NH1' ' A' ' 14' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.16 -73.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' GLU . 20.3 tp10 -42.75 -41.92 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.352 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -51.17 70.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.6 m -64.44 -45.34 87.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.392 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.67 -23.69 65.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 16' ' ' GLU . 3.6 tt0 -80.76 -48.12 12.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.472 ' CD2' HD11 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -63.02 -57.05 11.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 21' ' ' LEU . 3.4 t -40.0 -57.52 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -56.61 -38.64 72.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' LEU . 8.3 tt -67.6 -60.78 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.415 HG13 ' CG1' ' A' ' 86' ' ' VAL . 46.3 t -39.17 -64.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.7 -72.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 m -48.43 -51.75 25.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.432 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.1 t -46.17 -46.95 17.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.577 HG23 ' CE1' ' A' ' 52' ' ' PHE . 1.3 m -63.53 -72.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.427 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.61 -46.6 5.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.1 m -51.33 -41.02 60.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.426 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 29' ' ' THR . 0.8 OUTLIER -57.41 -25.39 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.587 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -98.09 32.3 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.02 22.11 5.99 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.597 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 62.3 m170 -79.66 -101.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 0.0 109.614 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.597 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 6.4 m-20 90.17 42.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -164.04 86.26 1.2 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' VAL . 18.1 Cg_endo -75.03 -15.0 20.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.767 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 38' ' ' PRO . 29.4 pttt -40.29 -29.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' PRO . . . -114.69 54.19 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -160.05 150.37 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 -99.51 167.59 10.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.99 -7.22 52.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -130.54 32.27 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.383 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -89.82 160.82 40.28 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.369 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.418 ' N ' HG22 ' A' ' 45' ' ' THR . 18.2 Cg_endo -75.01 107.95 2.6 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.574 ' CE2' HG21 ' A' ' 29' ' ' THR . 1.8 m-85 -68.33 -35.89 78.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -19.19 7.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.77 -27.37 20.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.411 HD12 ' CG ' ' A' ' 47' ' ' PHE . 80.4 mt -50.34 -41.13 50.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 132.93 55.27 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.577 ' CE1' HG23 ' A' ' 29' ' ' THR . 4.7 m-85 -119.73 152.1 37.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 0.781 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -157.38 -65.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 58' ' ' VAL . 49.5 m -146.05 -63.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.974 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.2 mt -56.58 -51.96 66.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.465 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -65.76 -28.68 69.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.419 ' HA ' ' CD2' ' A' ' 52' ' ' PHE . . . -75.55 -32.28 60.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 54' ' ' SER . 3.1 t -84.0 -25.31 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.467 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . 1.5 ttt180 -75.57 -27.73 58.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.461 HD22 ' CG2' ' A' ' 29' ' ' THR . 32.3 tp -75.5 -56.38 4.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 71' ' ' ARG . 6.1 ttm180 -46.65 -53.5 11.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -53.99 -23.59 13.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -89.91 -59.25 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 9.7 mt -48.75 -23.43 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 61' ' ' ARG . 0.8 OUTLIER -55.31 -29.68 58.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.59 3.05 26.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.23 2.92 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.442 ' CG2' HD23 ' A' ' 72' ' ' LEU . 24.7 p -130.65 -68.02 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.37 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.93 -12.68 6.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 65' ' ' ASN . 0.5 OUTLIER -116.43 -170.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 179.941 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.5 ' O ' ' CD ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -88.39 4.95 44.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.306 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 64' ' ' LEU . 91.5 mt 55.9 162.12 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.076 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.556 ' CG ' ' CE1' ' A' ' 89' ' ' PHE . 18.1 Cg_endo -75.05 132.42 15.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.2 p -55.18 -22.09 16.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 78' ' ' PHE . 59.2 p -87.77 -1.37 57.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.557 ' HG ' ' CE2' ' A' ' 89' ' ' PHE . 4.5 tt -43.36 -57.33 3.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.491 ' CG2' HD23 ' A' ' 76' ' ' LEU . 95.3 t -89.11 24.24 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -138.61 6.97 2.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -147.61 18.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.562 ' CD2' HG21 ' A' ' 86' ' ' VAL . 3.2 p-80 -119.99 105.3 42.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.593 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.431 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 18.3 Cg_endo -75.02 -11.95 21.46 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.454 1.766 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 81' ' ' PRO . 26.6 m120 -162.14 -176.57 5.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . . . -81.82 -46.36 14.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -14.37 20.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.8 -40.58 12.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.562 HG21 ' CD2' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -58.41 -58.67 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.535 ' N ' ' CG1' ' A' ' 86' ' ' VAL . . . -46.29 -37.44 7.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.64 -40.91 96.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.667 ' CG ' ' N ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -61.35 -51.28 69.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 0.78 . . . . 0.0 110.998 -179.949 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.667 ' N ' ' CG ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -64.73 -48.43 74.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 95' ' ' GLY . 21.8 t70 -40.94 -57.47 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.68 -39.01 57.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 90' ' ' LEU . 3.7 tt0 -71.88 -25.53 61.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 mt -88.26 -22.59 23.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.88 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -38.92 -57.39 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -54.42 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 m -58.21 -39.32 78.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.37 -17.06 60.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.8 tt0 -82.48 -43.62 17.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -54.93 -46.48 74.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.521 ' CG2' ' CB ' ' A' ' 87' ' ' ALA . 2.6 t -61.27 -68.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -47.23 -33.21 5.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.404 HD22 ' CB ' ' A' ' 67' ' ' ALA . 2.1 tt -66.57 -49.77 65.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.7 t -55.09 -34.85 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.541 ' NH2' ' CB ' ' A' ' 43' ' ' ALA . 78.9 mmt-85 -58.32 -63.34 1.31 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -66.64 -44.46 81.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 t -53.15 -42.22 65.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 32' ' ' VAL . 75.9 m -77.78 -57.19 3.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.02 -26.18 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.435 ' N ' ' C ' ' A' ' 29' ' ' THR . 89.1 m -83.81 -38.92 20.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.391 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.594 HG11 ' CE1' ' A' ' 52' ' ' PHE . 1.4 p -56.16 -25.91 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.459 ' CD2' HG13 ' A' ' 32' ' ' VAL . 4.0 mm? -91.04 10.1 28.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 65.86 54.72 23.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -147.33 -177.22 5.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.585 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -161.25 70.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -169.8 111.78 0.48 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -12.05 21.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.07 -6.7 44.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.93 37.94 2.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -176.58 160.78 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.56 173.84 8.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.541 ' CB ' ' NH2' ' A' ' 26' ' ' ARG . . . -80.53 -31.61 36.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.47 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 2.4 p -112.42 40.47 2.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 0.0 110.363 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.43 152.46 37.8 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.443 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.45 ' HG2' ' CG ' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -74.97 120.04 5.91 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.536 1.809 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.613 ' CD1' ' CE1' ' A' ' 80' ' ' HIS . 25.7 p90 -48.66 -47.91 40.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.515 ' N ' ' CD2' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -47.74 -55.89 8.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.45 ' CG ' ' HG2' ' A' ' 46' ' ' PRO . 15.5 mm-40 -44.1 -39.71 4.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.487 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -93.16 45.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.431 ' O ' ' CD1' ' A' ' 33' ' ' LEU . . . 38.58 92.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.594 ' CE1' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -162.59 124.9 2.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 110.976 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.638 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -170.55 126.74 0.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.527 ' CA ' ' HB3' ' A' ' 57' ' ' ALA . 3.4 m 32.72 -88.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.638 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -34.5 -78.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.96 -36.11 59.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.527 ' HB3' ' CA ' ' A' ' 54' ' ' SER . . . -60.02 -27.05 66.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 54' ' ' SER . 1.1 t -83.99 -57.61 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 58' ' ' VAL . 12.7 ttt180 -38.21 -30.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.481 ' HB2' ' CG2' ' A' ' 32' ' ' VAL . 1.8 tp -85.38 -50.72 7.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -49.21 -28.2 4.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.257 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.443 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -71.54 -33.08 68.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -87.63 -40.78 13.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.6 mt -50.18 -22.97 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -57.96 -20.48 38.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.03 -18.46 21.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.404 ' CB ' HD22 ' A' ' 24' ' ' LEU . . . -61.19 -42.95 99.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.439 ' HB ' ' CD2' ' A' ' 70' ' ' LEU . 3.0 p -111.68 -30.97 7.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.2 4.03 53.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.462 ' CD1' ' HG2' ' A' ' 93' ' ' GLU . 0.6 OUTLIER -125.49 -173.49 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.424 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 3.8 mtt180 -85.39 167.33 15.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -153.15 162.79 25.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.944 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.503 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 18.3 Cg_endo -75.0 142.29 27.67 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.58 -16.16 60.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.057 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 78' ' ' PHE . 67.1 p -89.71 -8.05 53.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.364 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 73' ' ' PRO . 1.4 pp -46.81 -42.01 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.514 HG13 ' CE1' ' A' ' 80' ' ' HIS . 20.6 t -87.08 38.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' THR . 2.8 t80 -138.74 -44.21 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.31 6.96 44.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.613 ' CE1' ' CD1' ' A' ' 47' ' ' PHE . 5.5 p-80 -96.13 126.64 43.57 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.479 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.4 Cg_endo -75.04 -27.26 10.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.47 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -165.01 160.48 19.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' ALA . . . -46.84 -48.7 20.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -38.88 -29.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.99 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.479 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -77.5 -53.75 7.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.585 HG21 ' CD2' ' A' ' 80' ' ' HIS . 55.0 t -42.32 -49.29 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.521 ' CB ' ' CG2' ' A' ' 22' ' ' VAL . . . -47.0 -42.26 17.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -67.27 -64.59 3.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -39.83 -30.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.75 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 94' ' ' LEU . 6.7 mp -84.18 -46.79 11.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.496 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 2.1 t70 -61.44 -39.56 91.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.22 -28.28 61.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.462 ' HG2' ' CD1' ' A' ' 70' ' ' LEU . 10.9 tt0 -84.52 -23.98 29.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.496 ' CD2' ' HA ' ' A' ' 91' ' ' ASP . 0.3 OUTLIER -89.96 -26.38 20.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.993 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.502 ' CG ' ' OD1' ' A' ' 91' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.99 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -57.9 -33.25 68.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.981 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -59.36 -52.82 63.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 14' ' ' ARG . 95.0 m -65.35 -48.24 73.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.85 -18.27 63.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 2.1 tp10 -89.95 -43.75 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.457 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 2.7 mt -65.82 -27.41 68.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.25 -64.12 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.432 ' CZ ' HG23 ' A' ' 27' ' ' THR . 4.1 tmt_? -54.78 -36.11 64.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.3 -53.34 54.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.44 HG13 ' CG1' ' A' ' 86' ' ' VAL . 2.1 t -51.42 -42.37 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.6 mtm105 -55.65 -60.6 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.432 HG23 ' CZ ' ' A' ' 23' ' ' ARG . 2.0 p -62.57 -49.14 76.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.437 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -47.9 -50.89 25.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.566 HG23 ' CE1' ' A' ' 52' ' ' PHE . 27.3 m -60.9 -61.69 2.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 110.442 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.93 -33.11 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 m -72.29 -38.88 68.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.556 HG13 ' CZ ' ' A' ' 52' ' ' PHE . 53.3 t -56.22 -37.34 49.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.488 HD21 ' CE1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -90.07 13.76 14.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.23 -43.73 3.23 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.479 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.9 p80 -170.51 -173.02 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.777 . . . . 0.0 109.562 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER 157.2 -26.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 7.9 t0 81.61 125.29 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.05 19.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.441 1.758 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -73.42 -10.31 59.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.35 -19.94 18.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.5 t -87.86 124.63 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.54 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 8.2 mtm180 -100.66 2.59 41.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 42' ' ' ARG . . . 86.62 -44.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.458 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 1.2 p -82.4 8.69 10.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.409 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.531 ' OG1' ' HD2' ' A' ' 46' ' ' PRO . 1.3 t -51.45 152.8 4.22 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.382 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.531 ' HD2' ' OG1' ' A' ' 45' ' ' THR . 18.4 Cg_endo -74.95 6.62 3.27 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.466 1.771 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.572 ' CZ ' HG12 ' A' ' 77' ' ' VAL . 2.4 t80 63.95 -61.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 46' ' ' PRO . 7.3 mttt -42.08 -28.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -54.54 -31.23 56.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.497 ' CD1' ' CG2' ' A' ' 29' ' ' THR . 4.4 mt -68.77 -22.13 64.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.67 -0.01 76.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.11 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.566 ' CE1' HG23 ' A' ' 29' ' ' THR . 1.9 m-85 -46.31 152.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -150.1 -83.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.4 m -126.36 -60.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.46 -53.06 61.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.504 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -60.03 -42.51 94.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.82 -23.92 66.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.17 -38.04 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.5 -38.54 91.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.7 tp -68.87 -30.47 68.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.457 ' NH1' ' O ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -70.15 -48.65 56.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -57.39 -27.11 62.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.42 ' C ' ' N ' ' A' ' 65' ' ' ASN . 0.2 OUTLIER -89.94 -59.72 2.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.355 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 13.7 mt -43.54 -27.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 69' ' ' GLY . 0.8 OUTLIER -53.1 -40.73 64.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -78.22 -20.45 51.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.457 ' HB1' ' CD2' ' A' ' 21' ' ' LEU . . . -73.42 -32.66 64.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.468 ' CG2' ' HG ' ' A' ' 90' ' ' LEU . 20.3 p -109.08 -61.12 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.442 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 134.55 -15.46 4.4 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.85 -169.92 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.562 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -87.33 1.06 54.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.34 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.562 ' O ' ' O ' ' A' ' 71' ' ' ARG . 13.1 mt 50.51 166.09 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.361 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 72' ' ' LEU . 18.1 Cg_endo -75.0 137.02 21.17 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.7 p -64.08 -16.42 61.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.515 ' CG2' ' HB2' ' A' ' 79' ' ' ASP . 0.9 OUTLIER -89.29 -8.2 53.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.488 ' CD1' HD13 ' A' ' 72' ' ' LEU . 9.0 tt -40.87 -54.14 2.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.572 HG12 ' CZ ' ' A' ' 47' ' ' PHE . 52.5 t -84.83 43.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.3 OUTLIER -150.02 -48.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.515 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 1.6 t70 -86.57 -0.82 56.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 1.5 p-80 -101.04 107.72 51.23 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.554 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -74.99 -31.2 6.41 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -143.33 175.25 10.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.94 -50.56 65.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -41.23 -45.6 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.437 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -60.47 -59.51 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.44 ' CG1' HG13 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -44.61 -43.41 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.961 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.13 -57.06 7.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.86 -56.8 18.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.22 -39.61 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.784 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.468 ' HG ' ' CG2' ' A' ' 68' ' ' THR . 4.2 mp -70.65 -42.68 70.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.502 ' OD1' ' CG ' ' A' ' 14' ' ' ARG . 1.7 t70 -61.28 -46.77 88.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.39 -34.18 72.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -75.73 -25.57 56.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.7 mt -84.74 -26.69 27.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.404 ' N ' ' HG2' ' A' ' 4' ' ' MET . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -153.76 -52.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 110.033 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -59.0 -18.46 34.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.404 ' HG2' ' N ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -69.22 -6.25 27.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' MET . 0.5 OUTLIER -40.37 -63.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -45.98 -57.37 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.74 -43.05 3.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -67.43 -40.47 85.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 6' ' ' ARG . 4.2 mm? -56.47 -57.15 13.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.34 20.13 4.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -114.74 -16.21 7.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.477 1.11 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mt -71.5 155.51 92.54 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 162.86 36.43 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.479 1.779 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.418 ' HA ' ' NH1' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -53.02 -51.77 60.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.11 -76.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -39.73 -42.4 1.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.418 ' NH1' ' HA ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -59.15 -55.31 36.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 m -60.71 -46.73 89.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.381 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.32 -17.98 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -87.35 -56.73 3.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -39.37 77.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.467 HG23 ' CB ' ' A' ' 87' ' ' ALA . 9.8 t -54.22 -62.19 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.89 -43.01 13.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tt -67.95 -49.87 59.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.6 t -52.86 -45.66 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -56.2 -65.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -54.37 -46.04 72.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.2 t -58.74 -52.55 65.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.573 HG22 ' CZ ' ' A' ' 52' ' ' PHE . 53.8 m -49.21 -57.4 6.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.436 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.64 -29.36 67.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -37.57 86.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.572 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER -57.42 -30.84 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -74.92 -15.44 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.31 44.17 5.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -160.21 138.72 10.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.626 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -99.14 66.65 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -133.04 100.99 13.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -14.49 21.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.77 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -64.33 -12.53 43.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.23 28.0 4.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.8 p -163.73 148.15 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.427 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 13.6 mtp180 -138.11 23.11 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.366 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 42' ' ' ARG . . . 78.46 -54.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.468 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 6.4 m -93.31 39.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -95.98 159.47 32.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.403 ' N ' HG23 ' A' ' 45' ' ' THR . 18.3 Cg_endo -74.96 109.87 3.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' A' ' 48' ' ' LYS . 6.7 p90 -58.85 -45.26 90.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.643 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 10.5 tptt -52.9 -41.42 64.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.54 -40.31 80.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 47' ' ' PHE . 63.7 mt -49.6 -35.1 19.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.44 45.16 0.8 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.573 ' CZ ' HG22 ' A' ' 29' ' ' THR . 26.1 m-85 -111.17 134.89 52.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.746 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.18 -77.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 58' ' ' VAL . 12.2 m -129.45 -63.91 0.92 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.14 -54.32 45.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.96 -22.08 62.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.1 -28.65 43.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' SER . 0.9 OUTLIER -88.48 -42.21 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.465 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -50.05 -38.4 37.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 tp -73.76 -50.0 22.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -56.65 -32.87 65.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -65.61 -43.35 89.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.68 -42.66 58.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.472 ' CB ' HD11 ' A' ' 72' ' ' LEU . 9.2 mt -57.73 -17.79 17.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.413 ' ND2' ' HG3' ' A' ' 71' ' ' ARG . 26.5 t-20 -60.9 -35.31 76.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.37 13.33 11.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.76 0.45 9.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.458 ' CG2' ' HG ' ' A' ' 90' ' ' LEU . 4.5 p -140.62 -50.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.36 -19.65 8.07 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.406 ' O ' ' CG ' ' A' ' 65' ' ' ASN . 0.5 OUTLIER -107.73 -169.59 1.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 0.739 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -101.71 4.66 40.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.476 ' O ' ' O ' ' A' ' 71' ' ' ARG . 14.6 mt 55.74 159.78 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 72' ' ' LEU . 18.5 Cg_endo -74.9 143.09 28.98 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 111.035 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.0 m -63.2 -19.05 64.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.949 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.7 p -90.41 -7.41 53.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.46 HD11 ' CG2' ' A' ' 77' ' ' VAL . 1.3 pp -48.42 -44.18 34.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.535 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 54.3 t -90.25 36.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.97 -43.87 0.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.57 -16.68 38.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.691 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -93.9 111.8 54.43 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.625 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -29.58 8.18 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.772 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.468 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 3.6 m-80 -146.87 173.75 12.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -60.02 -48.03 83.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.68 -32.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.19 -50.08 12.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.691 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 55.6 t -46.33 -47.74 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.467 ' CB ' HG23 ' A' ' 22' ' ' VAL . . . -48.78 -41.21 31.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -67.11 -66.92 2.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.06 -40.34 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.458 ' HG ' ' CG2' ' A' ' 68' ' ' THR . 6.7 mp -71.21 -43.1 68.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 88' ' ' GLY . 12.3 t0 -59.44 -48.69 80.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.2 -32.35 68.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.63 -24.53 49.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.7 mt -86.62 -25.66 24.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p -134.35 166.81 21.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.969 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -107.28 -28.1 10.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.57 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -3.06 50.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.15 -26.42 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.449 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 9.0 ptt180 -53.14 -20.27 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -70.55 -35.23 72.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -20.48 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 11' ' ' GLY . 12.3 mt -59.08 -16.8 21.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.42 63.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 132.78 -8.3 5.21 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 11' ' ' GLY . 1.3 mp 37.95 71.75 0.99 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.562 0.801 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 179.04 6.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.545 1.813 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -44.69 -51.26 9.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 110.329 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.11 -53.22 10.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -61.62 -54.14 46.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -24.87 42.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ARG . 93.0 m -88.48 -33.38 17.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.425 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.5 -38.83 48.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 21' ' ' LEU . 6.8 pt-20 -57.59 -32.99 67.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.419 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -75.56 -47.43 26.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 26' ' ' ARG . 16.7 t -49.72 -65.91 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.09 -41.57 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.5 OUTLIER -71.77 -44.7 63.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.452 HG11 ' CB ' ' A' ' 83' ' ' ALA . 43.7 t -62.88 -32.14 54.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 43' ' ' ALA . 4.6 mtp85 -70.63 -56.34 6.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.467 ' O ' ' CB ' ' A' ' 31' ' ' THR . 8.2 m -68.65 -29.25 67.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 16.1 t -66.13 -46.44 77.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.1 m -67.37 -59.02 3.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.63 -38.44 46.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' ' 27' ' ' THR . 2.5 m -62.36 -40.56 96.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.388 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 28' ' ' SER . 48.1 t -57.38 -17.88 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.591 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 1.2 mm? -103.43 28.41 6.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . 35.14 54.25 0.91 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 33' ' ' LEU . 57.9 m-70 -149.15 118.16 6.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.594 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.82 66.88 3.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -155.46 90.3 2.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.416 ' C ' ' N ' ' A' ' 40' ' ' ALA . 18.5 Cg_endo -74.96 -13.75 21.42 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.437 1.756 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.74 -25.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 38' ' ' PRO . . . -87.78 43.32 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.464 ' CG1' ' NH2' ' A' ' 26' ' ' ARG . 47.3 t -154.82 150.75 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 44' ' ' THR . 12.7 mtt180 -138.13 38.59 2.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 26' ' ' ARG . . . 70.33 -58.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 42' ' ' ARG . 82.1 p -96.64 44.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.75 148.14 40.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 109.74 2.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.545 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 2.4 p90 -58.67 -31.16 67.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.532 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 1.4 tmtt? -56.96 -33.29 66.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -76.44 -0.71 23.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.08 25.11 11.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.55 78.54 0.1 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.593 ' CE2' ' O ' ' A' ' 56' ' ' ALA . 1.0 OUTLIER -144.96 145.44 31.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 111.04 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -157.45 -80.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -120.77 -64.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.964 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.09 -63.02 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.593 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -59.52 -33.67 71.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.381 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.83 -29.11 68.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.5 t -84.33 -34.03 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -62.16 -34.88 77.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.243 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' LEU . 30.9 tp -69.59 -61.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.15 -45.38 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -57.55 -41.37 80.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 60' ' ' LEU . 2.8 tt -73.41 -51.28 17.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 67' ' ' ALA . 6.4 mt -46.53 -25.79 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 63' ' ' LEU . 4.4 t-20 -53.68 -29.03 36.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.83 -23.6 41.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.468 ' CB ' HD22 ' A' ' 24' ' ' LEU . . . -81.08 -27.95 35.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.473 ' CG2' HD21 ' A' ' 90' ' ' LEU . 2.2 p -130.78 -69.17 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.34 12.96 29.77 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.448 ' CD2' ' HB ' ' A' ' 68' ' ' THR . 1.9 pp -97.32 -171.9 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 72' ' ' LEU . 4.3 mtt180 -88.63 63.67 7.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.532 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -40.12 151.41 0.24 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.49 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.01 146.64 32.85 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.436 1.756 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -74.35 -21.99 59.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 78' ' ' PHE . 69.7 p -90.88 1.39 57.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 75' ' ' THR . 1.4 tp -38.43 -60.9 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.511 HG11 ' CE1' ' A' ' 47' ' ' PHE . 82.7 t -84.31 45.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.467 ' N ' ' O ' ' A' ' 75' ' ' THR . 1.1 t80 -153.11 -42.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -93.99 -11.58 30.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.691 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -100.88 131.46 23.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.574 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.464 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -74.98 -45.78 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.459 1.768 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.612 ' N ' ' HD1' ' A' ' 80' ' ' HIS . 0.5 OUTLIER -144.23 175.73 9.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.514 ' CB ' ' NH1' ' A' ' 26' ' ' ARG . . . -57.95 -44.4 86.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.1 -37.51 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.038 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -76.92 -47.69 20.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.691 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 75.1 t -43.99 -43.41 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.75 -54.66 21.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.68 -65.48 3.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.49 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -39.78 -34.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 0.0 111.02 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.532 ' CD2' ' CD2' ' A' ' 72' ' ' LEU . 22.9 mt -82.18 -50.72 8.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -53.21 -47.97 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.34 -37.05 71.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.75 -21.43 57.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.9 mt -87.07 -26.91 23.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 O-C-N 124.455 1.097 . . . . 0.0 110.949 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.86 144.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 58.04 177.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.62 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 5' ' ' LEU . 15.5 mmt -75.7 54.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.479 ' CD2' ' N ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -56.77 -163.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.479 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -69.36 58.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -40.9 -30.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -45.94 -27.77 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.473 ' O ' ' CD1' ' A' ' 12' ' ' LEU . 94.0 mt -54.1 -31.76 52.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.43 16.24 3.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 8' ' ' ARG . . . -135.76 19.86 3.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 9' ' ' LEU . 2.6 mt -74.24 156.85 87.23 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.753 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.37 12.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 18' ' ' THR . 2.4 ttt85 -43.68 -52.08 6.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 18' ' ' THR . . . -41.29 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' CB ' ' HB3' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -47.31 -40.39 16.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.417 ' O ' ' CD2' ' A' ' 21' ' ' LEU . 11.0 tpp85 -61.44 -32.58 72.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 14' ' ' ARG . 56.4 m -80.67 -41.1 24.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.33 -39.42 71.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -66.91 -38.71 86.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.417 ' CD2' ' O ' ' A' ' 17' ' ' ARG . 1.2 mm? -56.47 -46.62 80.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.419 HG23 ' CB ' ' A' ' 87' ' ' ALA . 21.8 t -62.97 -63.97 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -45.31 -36.1 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.266 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.6 tt -70.65 -55.69 8.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.469 HG22 ' CG1' ' A' ' 86' ' ' VAL . 24.2 t -49.37 -55.04 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -43.71 -71.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.2 p -53.29 -49.71 66.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.8 t -49.46 -45.57 46.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.5 m -64.38 -60.83 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.408 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.08 -35.52 47.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.6 m -58.79 -33.86 70.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.365 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.9 t -62.34 -33.88 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -75.23 -13.25 60.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.68 49.79 4.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.11 169.7 20.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.629 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -139.28 58.49 1.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.35 79.3 66.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.42 18.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.16 -12.6 52.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.87 -6.25 17.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.4 t -109.96 138.73 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.75 173.66 6.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.66 -20.61 23.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -111.59 35.38 3.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -100.78 147.89 34.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.383 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.5 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.1 Cg_endo -74.99 106.54 2.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.558 1.82 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.574 ' CE2' ' O ' ' A' ' 77' ' ' VAL . 18.1 p90 -48.77 -25.34 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -29.19 62.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -81.05 -10.54 59.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.71 28.3 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 39.36 67.2 0.63 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.545 ' CD1' ' HB2' ' A' ' 56' ' ' ALA . 0.6 OUTLIER -125.06 148.99 48.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 0.767 . . . . 0.0 111.006 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -157.62 -85.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' VAL . 22.5 m -117.73 -64.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -63.98 0.96 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.545 ' HB2' ' CD1' ' A' ' 52' ' ' PHE . . . -54.54 -36.6 64.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.41 -25.79 65.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.7 t -81.81 -54.32 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -56.02 -23.99 36.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.11 -62.11 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.68 -38.13 2.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -53.19 -53.23 53.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tt -67.3 -36.61 81.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 mt -51.52 -45.17 62.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -59.55 -22.74 62.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.05 -20.84 28.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.76 -39.0 90.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.7 p -107.85 -41.21 5.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.383 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.78 2.23 39.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 93' ' ' GLU . 0.8 OUTLIER -111.27 -168.09 1.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -101.39 107.5 18.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.474 ' CD2' ' HD2' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -107.32 169.18 7.0 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.481 ' O ' ' CD1' ' A' ' 76' ' ' LEU . 18.2 Cg_endo -74.97 165.35 31.52 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.8 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.4 p -118.24 -1.4 11.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.8 p -90.14 -23.76 21.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.442 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -45.87 -35.49 4.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.574 ' O ' ' CE2' ' A' ' 47' ' ' PHE . 2.3 t -49.92 -22.57 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.403 ' N ' ' C ' ' A' ' 76' ' ' LEU . 9.2 t80 -105.41 -21.14 13.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -93.58 -3.85 51.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.545 ' CE1' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -108.29 121.02 44.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.621 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.47 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -75.0 -35.83 2.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.409 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -146.56 163.77 34.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.42 -46.15 56.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.31 -42.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.47 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -65.34 -54.9 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.545 HG23 ' CE1' ' A' ' 80' ' ' HIS . 6.8 t -45.77 -43.51 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.419 ' CB ' HG23 ' A' ' 22' ' ' VAL . . . -49.59 -51.5 36.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -59.02 -68.14 1.83 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.456 1.098 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.5 -32.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 94' ' ' LEU . 8.4 mp -85.91 -46.05 10.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.465 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 1.1 t70 -63.33 -19.71 64.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -90.29 -29.88 17.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.484 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 3.2 mm-40 -89.4 -18.87 25.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' A' ' 91' ' ' ASP . 0.3 OUTLIER -87.23 -29.09 21.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.13 . . . . 0.0 110.989 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 p -175.32 172.89 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.978 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -120.77 -179.36 3.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.576 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.9 mmt -81.17 100.31 9.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 8' ' ' ARG . 55.3 mt -57.72 -58.58 7.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.453 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -40.52 -56.84 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.04 -43.8 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -63.88 -42.89 97.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 11' ' ' GLY . 4.7 mt -62.76 -14.36 44.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.34 66.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 114.25 -5.38 23.45 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 11' ' ' GLY . 1.5 mp 39.46 65.15 3.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.757 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 177.41 8.62 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.1 -50.39 1.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.56 -65.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLU . 9.1 tm-20 -53.94 -41.05 67.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -58.5 -51.87 68.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -63.5 -45.52 90.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.02 -22.48 64.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -75.1 -41.76 58.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -64.78 -35.05 79.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 87' ' ' ALA . 16.9 t -73.69 -70.98 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.32 -29.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 67' ' ' ALA . 19.7 tp -78.71 -50.39 11.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.4 t -54.02 -45.42 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.5 ' CZ ' ' HA ' ' A' ' 43' ' ' ALA . 2.5 ttm-85 -54.02 -61.53 2.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 m -57.08 -48.82 77.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.415 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.6 m -52.79 -45.48 67.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.958 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.467 HG22 ' CE2' ' A' ' 52' ' ' PHE . 64.6 m -61.39 -70.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.421 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.4 -38.16 8.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.0 m -54.8 -34.28 62.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.469 ' CG2' HD23 ' A' ' 60' ' ' LEU . 58.4 t -61.95 -39.89 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -73.11 -19.88 61.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.45 47.89 2.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -149.81 167.22 27.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.593 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -141.33 65.35 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.66 65.37 46.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -19.33 17.96 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -23.36 67.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.5 3.38 54.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.0 t -122.08 128.59 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.449 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -80.07 -174.88 4.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.5 ' HA ' ' CZ ' ' A' ' 26' ' ' ARG . . . -92.68 -21.3 20.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -104.87 35.45 2.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.39 148.54 47.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.416 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.5 4.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.507 1.793 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.639 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -62.88 -34.71 77.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.44 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 9.1 tttt -56.99 -27.59 61.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -78.13 -2.95 39.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.223 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 51' ' ' GLY . 2.0 mp -104.77 31.08 4.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 34.61 72.65 0.1 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.467 ' CE2' HG22 ' A' ' 29' ' ' THR . 2.2 m-30 -117.94 131.3 56.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.45 ' C ' ' N ' ' A' ' 55' ' ' LEU . 12.6 m-20 -145.25 175.57 10.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' ASP . 4.5 m -39.32 -29.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.043 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.45 ' N ' ' C ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -78.8 -62.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -57.09 -40.66 77.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.71 -34.91 78.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.6 t -71.6 -41.37 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -25.22 56.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.469 HD23 ' CG2' ' A' ' 32' ' ' VAL . 0.4 OUTLIER -77.45 -55.4 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.55 -35.38 20.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -59.36 -35.66 74.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.19 -43.5 19.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.444 HD13 ' CD1' ' A' ' 60' ' ' LEU . 3.5 mt -49.54 -32.81 13.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 69' ' ' GLY . 18.0 m120 -53.42 -25.08 14.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.92 -25.88 43.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.462 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . . . -82.43 -18.95 40.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.441 ' CG2' ' HG ' ' A' ' 90' ' ' LEU . 1.8 p -132.7 -74.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 105.84 12.88 25.08 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.426 ' CD2' ' HB3' ' A' ' 93' ' ' GLU . 4.0 pp -109.99 -164.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.0 mmt85 -93.48 74.73 4.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.3 mt -53.38 160.38 1.83 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 151.23 39.36 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 m -79.88 -19.7 47.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 78' ' ' PHE . 39.5 p -90.44 -2.51 57.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 80' ' ' HIS . 8.1 tt -40.96 -51.6 3.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.581 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . 57.8 t -87.73 44.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.461 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -155.62 -41.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.28 3.1 53.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.639 ' CE1' ' CG ' ' A' ' 47' ' ' PHE . 2.1 p-80 -104.44 107.46 57.83 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.633 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -14.12 21.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -160.22 176.36 11.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.06 -49.39 36.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.97 -30.75 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.961 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.03 -51.74 29.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.478 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 54.0 t -53.29 -47.2 57.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.459 ' HB2' ' CG2' ' A' ' 22' ' ' VAL . . . -47.09 -45.08 21.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.68 -64.74 3.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.54 -34.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 0.737 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.441 ' HG ' ' CG2' ' A' ' 68' ' ' THR . 2.5 mp -78.86 -46.27 18.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -57.07 -47.17 81.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.33 -34.26 76.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.426 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 3.6 mm-40 -74.25 -25.83 59.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.41 ' CD1' HG21 ' A' ' 68' ' ' THR . 18.0 mt -88.75 -23.54 22.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 40.72 77.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 0.752 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -119.16 -64.67 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.629 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.03 62.34 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.95 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.6 -129.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.29 17.12 5.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -87.09 -15.13 39.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.497 ' O ' ' CD1' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -81.74 -51.34 8.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.5 OUTLIER -64.99 -17.53 64.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.7 61.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 48.53 21.09 1.9 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 8' ' ' ARG . 5.4 mp 41.44 90.18 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.777 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 166.47 29.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.014 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -40.88 -47.39 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.288 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.03 -52.91 18.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -64.05 -37.07 86.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.6 tpp85 -59.7 -52.68 64.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.4 m -63.74 -46.0 87.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.438 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.55 -26.06 66.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' GLU . 23.0 tt0 -76.37 -50.89 13.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -42.16 92.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.452 HG22 ' CB ' ' A' ' 87' ' ' ALA . 7.2 t -50.32 -66.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 ttt85 -49.16 -32.79 10.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 67' ' ' ALA . 0.8 OUTLIER -70.84 -57.28 4.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.467 HG11 ' CG1' ' A' ' 86' ' ' VAL . 66.6 t -48.86 -37.18 8.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.438 ' NE ' ' O ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -63.44 -76.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.473 ' O ' ' CB ' ' A' ' 31' ' ' THR . 1.6 p -45.43 -46.41 13.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.5 p -51.08 -48.03 61.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.556 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 85.0 m -62.47 -65.78 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.427 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.83 -25.64 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.473 ' CB ' ' O ' ' A' ' 27' ' ' THR . 1.8 m -71.64 -33.62 69.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.376 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.57 HG13 ' CZ ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -62.99 -29.75 47.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -70.61 -26.27 63.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.86 28.97 6.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -136.84 150.84 48.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.592 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -126.27 55.8 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.57 84.21 51.57 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -21.4 15.94 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -43.03 -32.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.471 ' O ' ' CG2' ' A' ' 41' ' ' VAL . . . -104.58 52.32 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 40' ' ' ALA . 91.3 t -156.31 140.27 8.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.438 ' O ' ' NE ' ' A' ' 26' ' ' ARG . 28.4 mtt180 -106.02 -174.08 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.33 -22.2 16.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.8 p -116.14 36.56 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.385 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.57 142.64 26.07 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.448 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.3 Cg_endo -75.02 129.54 12.41 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.458 ' CE2' HG22 ' A' ' 29' ' ' THR . 3.8 m-85 -68.99 -24.39 64.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -19.82 27.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -99.81 -21.47 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 31.6 mt -67.29 -26.16 66.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.65 65.19 0.7 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.448 1.092 . . . . 0.0 110.953 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.57 ' CZ ' HG13 ' A' ' 32' ' ' VAL . 3.5 m-85 -128.79 148.53 50.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -146.81 -71.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.277 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.4 m -142.74 -59.01 0.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.45 -39.43 87.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.419 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -72.39 -38.73 68.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.58 -39.22 84.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -72.79 -46.38 53.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.47 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . 5.1 mtp180 -57.88 -30.83 66.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.424 HD23 ' CE2' ' A' ' 52' ' ' PHE . 26.8 tp -70.49 -49.92 43.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.22 -38.17 85.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 58' ' ' VAL . 17.7 m120 -64.98 -32.03 73.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tt -84.87 -39.15 18.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.413 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 8.8 mt -57.9 -18.19 21.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -65.45 -18.32 65.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.07 -15.39 41.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.449 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . . . -106.39 2.69 26.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.415 ' CG2' ' CD2' ' A' ' 90' ' ' LEU . 67.2 p -140.55 -72.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.412 ' N ' ' OG1' ' A' ' 68' ' ' THR . . . 105.01 11.56 29.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.494 ' CD1' ' OE1' ' A' ' 93' ' ' GLU . 3.5 pp -113.13 -165.6 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.54 77.9 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.428 HD21 ' CD1' ' A' ' 76' ' ' LEU . 32.4 mt -50.94 159.93 0.89 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 145.99 32.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.6 p -71.76 -22.58 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.01 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.5 p -90.49 0.9 57.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.328 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.44 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 7.7 tt -47.61 -49.75 26.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.491 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 71.1 t -89.89 20.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.56 5.45 3.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.74 16.56 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.548 ' ND1' ' CG2' ' A' ' 86' ' ' VAL . 0.2 OUTLIER -127.08 134.3 25.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.4 Cg_endo -74.99 -52.26 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.472 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 0.1 OUTLIER -133.63 -174.26 3.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.248 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.78 -43.16 66.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.66 -34.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.412 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -78.91 -45.78 19.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.548 ' CG2' ' ND1' ' A' ' 80' ' ' HIS . 40.6 t -49.67 -46.53 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.452 ' CB ' HG22 ' A' ' 22' ' ' VAL . . . -50.1 -55.51 14.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 89' ' ' PHE . . . -50.38 -65.73 2.8 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.6 OUTLIER -37.33 -50.23 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 111.022 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.511 ' C ' ' CD1' ' A' ' 90' ' ' LEU . 0.8 OUTLIER -64.06 -54.88 27.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.417 ' N ' HD13 ' A' ' 90' ' ' LEU . 9.0 t0 -46.13 -50.06 15.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.52 -36.81 74.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.494 ' OE1' ' CD1' ' A' ' 70' ' ' LEU . 2.4 tt0 -69.66 -27.93 65.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.4 mt -90.21 -21.84 21.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 p 170.64 -53.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 0.743 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -40.59 -61.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.596 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.1 mmt -81.06 100.14 8.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.4 OUTLIER -63.5 -63.81 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -42.35 -32.18 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.46 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -89.93 42.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 5' ' ' LEU . 4.0 mtp180 -81.59 -47.54 12.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.3 OUTLIER -69.69 -29.67 67.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.46 ' CB ' ' OD1' ' A' ' 7' ' ' ASP . . . -67.73 62.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 129.32 -2.26 6.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' ' 11' ' ' GLY . 1.3 mt 58.17 157.28 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 175.67 10.91 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.52 1.8 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.492 ' CG ' ' OD2' ' A' ' 91' ' ' ASP . 2.3 ttp180 -49.67 -44.45 47.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.33 -67.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -62.1 -41.32 98.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -52.27 46.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.2 m -70.1 -43.58 70.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.381 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.97 -23.67 66.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -82.27 -59.45 2.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -50.91 64.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.465 HG23 ' CB ' ' A' ' 87' ' ' ALA . 2.6 t -41.4 -74.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.93 -41.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.456 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -65.29 -55.29 19.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.403 ' N ' HD21 ' A' ' 24' ' ' LEU . 71.4 t -42.46 -64.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.461 ' HD2' ' CB ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -44.1 -45.47 8.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.4 m -62.88 -51.76 65.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.5 m -55.03 -39.55 69.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.958 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.554 HG21 ' CE1' ' A' ' 52' ' ' PHE . 2.2 m -60.82 -63.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.17 -38.45 52.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.5 m -57.26 -37.97 73.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.427 HG12 ' CB ' ' A' ' 59' ' ' ARG . 79.2 t -63.75 -27.12 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 50' ' ' LEU . 12.4 mt -103.01 33.12 3.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 40.4 45.9 3.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.565 1.166 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -135.82 124.78 24.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 109.636 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -114.72 49.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.88 75.56 75.89 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.51 20.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.448 1.762 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -71.95 -12.56 61.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.46 28.37 8.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.2 t -151.4 125.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.447 ' O ' ' NE ' ' A' ' 26' ' ' ARG . 1.0 OUTLIER -79.57 -176.03 5.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.11 -24.98 18.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 p -106.07 38.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.34 144.07 31.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.467 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.1 Cg_endo -75.03 102.59 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.401 ' CG ' ' N ' ' A' ' 48' ' ' LYS . 25.2 p90 -48.08 -35.54 11.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -53.56 -21.23 6.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -92.04 -22.42 19.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 33' ' ' LEU . 29.0 mt -65.51 -34.59 78.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.03 38.1 1.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.554 ' CE1' HG21 ' A' ' 29' ' ' THR . 2.5 m-85 -101.95 150.3 23.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -150.44 -77.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 58' ' ' VAL . 19.5 m -132.22 -64.12 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.47 -52.28 64.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.507 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -61.42 -37.36 83.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.411 ' HA ' ' CD2' ' A' ' 52' ' ' PHE . . . -69.21 -32.81 72.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.6 t -78.14 -28.24 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.427 ' CB ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -71.76 -36.51 70.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.3 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.8 tp -65.49 -55.82 15.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 8.3 ttm180 -50.44 -46.45 56.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -60.68 -25.63 66.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.68 -37.47 16.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mt -74.52 -3.78 32.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 69' ' ' GLY . 0.3 OUTLIER -68.28 -37.68 80.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.88 -6.96 57.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.456 ' HB1' ' CD2' ' A' ' 24' ' ' LEU . . . -87.62 -11.44 48.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.48 HG23 ' CD2' ' A' ' 90' ' ' LEU . 18.7 p -142.07 -50.43 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.401 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 122.38 -13.06 8.92 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.557 1.16 . . . . 0.0 110.956 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.438 ' CD2' ' HB ' ' A' ' 68' ' ' THR . 0.6 OUTLIER -98.78 -176.59 3.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.245 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.462 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -98.69 4.7 47.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 76' ' ' LEU . 0.2 OUTLIER 54.05 167.26 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.552 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.0 142.89 28.39 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.2 p -64.45 -24.93 67.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 79' ' ' ASP . 58.1 p -90.85 2.97 55.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.395 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.473 ' CD1' HD21 ' A' ' 72' ' ' LEU . 0.9 OUTLIER -40.47 -64.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.497 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 74.2 t -87.45 25.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.1 OUTLIER -138.52 8.25 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.4 OUTLIER -152.15 20.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.658 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -127.82 131.75 23.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.6 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -39.72 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.549 ' N ' ' HD1' ' A' ' 80' ' ' HIS . 0.1 OUTLIER -148.6 -174.01 4.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.461 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . . . -70.54 -44.24 67.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -38.15 -61.34 0.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.022 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -53.11 -56.12 18.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.658 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 45.0 t -42.11 -39.2 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.465 ' CB ' HG23 ' A' ' 22' ' ' VAL . . . -53.41 -47.87 69.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -65.35 -58.31 9.74 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.552 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.8 OUTLIER -42.0 -32.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 110.964 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.48 ' CD2' HG23 ' A' ' 68' ' ' THR . 6.0 mt -83.86 -54.23 5.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.492 ' OD2' ' CG ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -48.43 -49.34 35.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.36 -38.49 68.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.38 -26.02 62.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.9 mt -86.43 -25.03 25.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m 70.69 61.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 0.798 . . . . 0.0 109.996 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -125.0 29.3 6.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.638 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.411 ' HE2' ' CB ' ' A' ' 7' ' ' ASP . 43.9 mmm -89.07 44.25 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.2 mt -85.66 -55.0 4.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.369 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.48 -57.96 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.411 ' CB ' ' HE2' ' A' ' 4' ' ' MET . 15.4 t70 -41.11 -41.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -52.57 22.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' GLY . 6.1 mt -50.48 -22.95 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.41 65.68 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 136.28 -8.73 4.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.049 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.451 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 17.6 mt 39.86 67.89 2.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -168.47 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.466 1.772 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.11 -39.12 55.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.03 -72.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' HG3' ' CD2' ' A' ' 12' ' ' LEU . 5.8 tm-20 -51.29 -52.03 48.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.61 -43.58 36.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.261 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.1 m -73.7 -38.32 64.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.5 -22.1 63.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' GLU . 3.5 tt0 -84.27 -45.92 12.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.458 ' CD1' HD22 ' A' ' 90' ' ' LEU . 0.9 OUTLIER -55.27 -57.61 11.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.451 HG22 ' CB ' ' A' ' 87' ' ' ALA . 2.9 t -57.04 -46.71 84.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 27' ' ' THR . 0.0 OUTLIER -61.2 -31.44 71.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.501 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -77.57 -68.57 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.46 ' CG2' HG11 ' A' ' 86' ' ' VAL . 13.5 p -37.76 -54.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.478 ' CG ' HG11 ' A' ' 41' ' ' VAL . 4.3 tpt85 -54.99 -71.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 23' ' ' ARG . 53.1 m -42.15 -40.61 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.407 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.464 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 2.2 t -62.89 -42.62 99.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.064 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.588 HG22 ' CE2' ' A' ' 52' ' ' PHE . 98.4 m -60.2 -69.5 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.372 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.49 -25.61 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.2 m -71.81 -33.35 68.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.465 HG22 ' CD1' ' A' ' 60' ' ' LEU . 11.3 t -70.62 -18.72 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 4.4 mm? -74.27 -35.77 63.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.15 28.56 4.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -138.66 172.65 12.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.419 0.717 . . . . 0.0 109.602 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -140.6 77.73 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.63 85.71 2.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.406 ' C ' ' N ' ' A' ' 40' ' ' ALA . 18.2 Cg_endo -75.07 -19.57 17.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.44 1.758 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -48.13 -24.12 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 38' ' ' PRO . . . -101.23 47.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.478 HG11 ' CG ' ' A' ' 26' ' ' ARG . 74.0 t -136.98 146.14 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -118.67 -8.38 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 42' ' ' ARG . . . 84.34 -50.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.472 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 19.5 p -89.65 40.36 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.393 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -95.3 145.68 29.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.384 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.496 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -74.96 101.52 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 77' ' ' VAL . 9.6 p90 -47.16 -33.98 5.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.097 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -54.0 -23.52 13.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -89.64 -21.54 22.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.498 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 17.7 mt -72.9 -4.79 34.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.35 60.79 3.64 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.588 ' CE2' HG22 ' A' ' 29' ' ' THR . 0.8 OUTLIER -115.51 129.08 56.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 0.801 . . . . 0.0 110.992 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 54' ' ' SER . 64.0 m-20 -133.75 174.17 10.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 53' ' ' ASP . 33.6 m -35.29 -35.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -69.42 -69.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.78 -41.26 70.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.531 ' CB ' ' CG1' ' A' ' 77' ' ' VAL . . . -59.92 -30.02 68.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.5 t -80.34 -50.38 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -60.24 -14.91 20.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.25 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.47 HD22 ' CG2' ' A' ' 77' ' ' VAL . 4.6 tp -86.87 -56.02 3.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.459 ' NH1' ' O ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -47.17 -42.16 19.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -67.86 -31.41 71.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.085 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.4 tt -81.67 -27.18 34.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -69.64 -28.38 65.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -57.38 -20.1 27.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.24 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.33 -20.57 23.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.96 -29.44 32.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.1 p -116.27 -70.64 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.56 -0.96 10.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 pp -117.11 -174.47 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.1 103.49 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.46 HD11 ' CD1' ' A' ' 90' ' ' LEU . 29.9 mt -89.75 161.54 38.57 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.42 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 18.3 Cg_endo -74.99 130.96 13.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.462 1.77 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.9 p -73.14 -10.83 60.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.023 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 79' ' ' ASP . 45.0 p -90.13 -7.37 53.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.406 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.45 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 2.5 pp -57.19 -45.59 83.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.6 ' O ' ' CE2' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -80.64 5.31 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -119.02 -13.71 9.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 75' ' ' THR . 13.8 t70 -114.66 -24.82 8.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.644 ' CE1' ' CG2' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -89.54 125.92 59.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.562 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -42.28 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.472 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -130.2 162.58 28.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -64.17 -40.11 95.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.01 -29.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -80.25 -50.86 9.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.644 ' CG2' ' CE1' ' A' ' 80' ' ' HIS . 79.5 t -42.54 -49.22 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.451 ' CB ' HG22 ' A' ' 22' ' ' VAL . . . -40.73 -57.0 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.24 -57.44 19.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.145 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.21 -33.52 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.46 ' CD1' HD11 ' A' ' 72' ' ' LEU . 9.4 mp -84.32 -50.51 7.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -52.85 -49.76 65.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.1 -27.56 69.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -81.96 -23.92 35.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 90' ' ' LEU . 9.9 mt -87.98 -24.9 23.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.9 m -49.1 160.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 110.036 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -42.01 152.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.621 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.88 52.23 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.54 -144.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -90.34 26.1 2.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.414 ' O ' ' CD ' ' A' ' 13' ' ' PRO . 2.2 m-20 -89.87 1.64 55.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -85.42 -59.42 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 11' ' ' GLY . 13.9 mt -51.67 -22.06 3.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.82 60.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 48.39 21.09 1.8 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.49 1.118 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 12' ' ' LEU . 3.9 mp 46.74 86.5 0.14 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.753 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.414 ' CD ' ' O ' ' A' ' 7' ' ' ASP . 18.3 Cg_endo -74.99 -168.87 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.479 1.779 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.56 -38.68 55.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.6 -70.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' GLU . 25.0 tp10 -43.24 -43.54 4.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -56.58 -55.41 34.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.402 ' OG1' ' CG ' ' A' ' 91' ' ' ASP . 18.7 m -55.76 -43.94 77.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.362 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.94 -16.92 61.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' GLU . 2.6 tt0 -85.55 -36.77 20.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.72 -39.61 57.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 84' ' ' SER . 0.3 OUTLIER -62.87 -43.81 99.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -42.81 76.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 tt -74.84 -39.45 61.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.46 HG13 ' CG1' ' A' ' 86' ' ' VAL . 3.4 t -62.48 -23.3 31.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.456 ' CZ ' HG22 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -79.76 -47.11 15.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.1 m -68.82 -34.93 76.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.454 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.447 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 0.5 OUTLIER -67.28 -53.83 26.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.018 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.6 m -48.75 -61.43 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.415 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.97 -36.94 68.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.8 m -65.39 -38.08 88.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.417 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 28' ' ' SER . 23.9 t -61.54 -41.83 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.457 HD11 ' CD1' ' A' ' 50' ' ' LEU . 14.6 mt -68.57 -22.41 64.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.17 42.37 3.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -139.42 125.98 20.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.63 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -102.29 64.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -153.86 93.85 2.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -22.46 14.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.777 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -17.52 62.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.19 30.34 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.456 HG22 ' CZ ' ' A' ' 26' ' ' ARG . 6.3 p -171.23 151.76 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -116.1 177.45 4.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.01 -23.45 33.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 p -104.85 32.18 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.482 ' CG2' ' HD2' ' A' ' 46' ' ' PRO . 2.0 m -96.2 147.07 32.4 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 45' ' ' THR . 18.2 Cg_endo -75.01 131.74 14.61 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.46 1.768 . . . . 0.0 110.956 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.636 ' CD1' ' N ' ' A' ' 48' ' ' LYS . 22.0 p90 -69.53 -47.35 64.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.636 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 9.2 tttt -57.91 -16.77 13.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.461 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . 5.3 tp10 -82.24 -38.17 24.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.339 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.457 ' CD1' HD11 ' A' ' 33' ' ' LEU . 4.6 pp -89.61 -11.65 42.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.13 118.12 2.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.636 ' CD1' ' CB ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -178.86 125.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 110.996 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 55' ' ' LEU . 15.0 m-20 -150.88 -177.01 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.508 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 75.7 m -36.85 -32.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.049 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -71.05 -67.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.636 ' CB ' ' CD1' ' A' ' 52' ' ' PHE . . . -56.4 -41.78 76.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.469 ' CB ' ' HB ' ' A' ' 77' ' ' VAL . . . -61.72 -34.63 76.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 54' ' ' SER . 1.7 t -67.05 -52.21 46.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -28.71 66.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.471 ' CD1' ' HG ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -77.44 -53.74 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.408 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -48.86 -35.62 15.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -58.97 -27.66 65.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.1 tt -90.26 -45.69 8.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.471 ' HG ' ' CD1' ' A' ' 60' ' ' LEU . 9.0 mt -48.81 -24.59 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -55.22 -27.78 48.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.8 -22.74 36.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.24 -26.24 30.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.1 p -123.89 -69.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.386 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.78 16.48 33.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.441 ' CD1' HD23 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -128.73 -177.47 4.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.93 94.71 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.472 HD11 ' CD1' ' A' ' 90' ' ' LEU . 14.5 mt -81.93 160.99 62.22 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 124.14 8.43 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.483 1.781 . . . . 0.0 111.053 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.5 p -62.27 -13.43 28.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 78' ' ' PHE . 52.5 p -90.08 -9.38 48.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.2 pp -45.56 -42.42 10.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.567 HG12 ' CD2' ' A' ' 52' ' ' PHE . 78.1 t -89.58 39.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -153.61 -42.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.02 -11.95 48.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.618 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -97.39 111.98 59.86 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.598 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.454 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.02 -12.53 21.48 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 81' ' ' PRO . 14.5 m-80 -163.47 160.58 23.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -51.99 -53.33 42.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.46 ' HA ' ' CG2' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -42.0 -27.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.009 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.454 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -81.26 -47.14 13.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.541 ' CG2' ' CG ' ' A' ' 80' ' ' HIS . 1.0 OUTLIER -54.99 -52.08 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.442 ' HB1' ' CB ' ' A' ' 22' ' ' VAL . . . -42.7 -57.7 2.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.36 -59.51 8.27 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.04 -32.51 9.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.472 ' CD1' HD11 ' A' ' 72' ' ' LEU . 5.8 mt -80.19 -38.59 30.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.402 ' CG ' ' OG1' ' A' ' 18' ' ' THR . 4.8 t70 -65.85 -45.23 82.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.48 -36.0 81.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.67 -23.0 49.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.7 mt -82.71 -28.49 30.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.39 -72.65 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 0.798 . . . . 0.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 173.62 -61.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.579 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.3 mmt -62.43 94.1 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mp -89.65 -52.87 4.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 9' ' ' LEU . 3.6 mmt85 -41.07 -54.62 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.45 -47.52 5.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.8 -41.66 57.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 6' ' ' ARG . 67.2 mt -54.02 -21.19 7.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.18 18.2 2.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 12' ' ' LEU . . . -146.25 17.83 1.71 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.443 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 1.6 mm? 39.16 71.67 1.1 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 178.24 7.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.54 1.81 . . . . 0.0 110.978 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -54.88 -45.71 74.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.69 -68.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' GLU . 30.3 tt0 -51.06 -43.66 61.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.0 tpp85 -56.67 -54.79 42.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.8 m -64.62 -45.98 84.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.16 -20.97 66.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' GLU . 2.9 tt0 -83.61 -58.17 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.354 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.463 ' CD2' HD13 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -55.2 -38.45 68.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.452 HG21 ' CB ' ' A' ' 87' ' ' ALA . 8.0 t -52.87 -65.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mtm105 -45.17 -42.54 9.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tt -67.82 -41.23 83.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 37.9 t -63.39 -55.99 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.405 ' HD3' ' N ' ' A' ' 43' ' ' ALA . 23.9 mtm180 -45.16 -53.77 7.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.9 m -68.87 -49.36 58.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.442 ' CB ' HD21 ' A' ' 64' ' ' LEU . 3.8 m -48.89 -54.28 16.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.05 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.573 ' CG2' ' CE2' ' A' ' 47' ' ' PHE . 2.5 m -56.6 -59.0 5.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.74 -37.95 60.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.9 m -62.1 -40.75 96.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.38 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.7 t -55.51 -20.69 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.54 HD23 ' CD1' ' A' ' 52' ' ' PHE . 4.3 mm? -99.16 29.93 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.56 49.21 11.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -136.63 134.67 37.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 109.614 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.61 73.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.71 120.51 0.31 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -15.32 20.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.525 1.803 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -50.39 -22.8 2.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.64 34.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.7 p -174.58 141.91 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -128.81 20.81 5.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 42' ' ' ARG . . . 81.04 -52.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.6 p -93.94 42.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.19 144.94 29.61 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 102.5 1.6 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.498 1.789 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.657 ' CE2' ' CE1' ' A' ' 80' ' ' HIS . 3.2 m-85 -46.85 -48.83 20.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -51.98 7.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.59 -34.08 77.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.452 ' C ' ' CD1' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -64.33 -30.4 71.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.45 105.39 2.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.571 ' CE1' HG23 ' A' ' 29' ' ' THR . 0.2 OUTLIER -156.95 136.35 12.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.983 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 55' ' ' LEU . 4.8 m-20 -134.79 170.17 16.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 53' ' ' ASP . 3.3 m -38.04 -30.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.036 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -78.6 -56.0 4.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.96 95.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.95 -35.86 71.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.401 ' O ' ' CG ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -68.83 -51.75 41.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -48.24 -43.25 32.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.458 ' CD1' ' HG ' ' A' ' 64' ' ' LEU . 56.5 tp -63.14 -57.29 11.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.3 -38.72 28.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.482 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 2.7 m120 -68.27 -47.98 66.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -59.33 5.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 4.0 mt -52.21 -21.57 3.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 62' ' ' ASN . 8.3 t-20 -55.24 -28.6 54.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.44 11.6 21.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.04 3.67 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.466 ' CG2' HD21 ' A' ' 72' ' ' LEU . 32.4 p -133.88 -62.8 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.19 -5.06 10.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.432 ' CD1' ' OE2' ' A' ' 93' ' ' GLU . 0.4 OUTLIER -118.88 -170.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.747 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -92.45 4.47 53.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.527 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 85.1 mt 56.32 158.16 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.94 12.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.1 p -59.22 -17.13 25.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 79' ' ' ASP . 67.8 p -90.43 -5.79 55.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.471 ' CD2' HG21 ' A' ' 77' ' ' VAL . 7.3 tt -45.89 -58.13 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.566 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 44.9 t -90.33 23.28 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.17 7.97 2.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -151.95 20.35 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.657 ' CE1' ' CE2' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -128.9 129.2 23.44 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.608 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.472 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -75.01 -46.75 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.482 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 31.2 m-20 -136.15 -174.67 3.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -70.67 -45.17 65.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.57 -26.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.472 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -84.9 -43.81 13.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.528 HG21 ' CG ' ' A' ' 80' ' ' HIS . 20.5 t -50.1 -49.96 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.452 ' CB ' HG21 ' A' ' 22' ' ' VAL . . . -48.78 -52.44 23.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.26 -58.27 11.28 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -37.56 44.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.527 ' CD2' ' CD2' ' A' ' 72' ' ' LEU . 27.9 mt -76.39 -37.08 57.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -68.1 -46.24 71.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.17 77.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.432 ' OE2' ' CD1' ' A' ' 70' ' ' LEU . 1.6 tt0 -78.3 -21.89 48.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.8 mt -83.06 -28.87 29.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 3' ' ' HIS . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m 69.08 -67.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.982 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 1' ' ' GLY . 1.0 OUTLIER 72.31 -70.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.634 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.1 mmt -72.16 60.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.8 mt -87.38 -54.09 4.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -22.62 2.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.502 ' O ' ' CD ' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -89.94 42.53 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.445 ' CG ' ' HG3' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -87.92 -58.41 2.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.9 OUTLIER -57.13 -17.72 12.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.0 61.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 50.56 20.22 3.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 mp 50.17 91.67 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.512 0.772 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.502 ' CD ' ' O ' ' A' ' 7' ' ' ASP . 18.4 Cg_endo -75.02 166.94 28.13 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.781 . . . . 0.0 111.066 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' PRO . 17.2 ttt180 -38.88 -51.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.1 -45.26 3.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' PRO . 4.0 mm-40 -75.75 -38.53 58.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -34.12 75.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 m -85.17 -43.67 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.9 -32.55 73.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 6.3 tt0 -68.55 -54.41 16.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.412 ' HA ' ' CD2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -58.73 -30.09 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.455 HG23 ' CB ' ' A' ' 87' ' ' ALA . 2.7 t -59.21 -77.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.34 -26.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.468 HD22 ' CB ' ' A' ' 67' ' ' ALA . 0.1 OUTLIER -75.18 -54.45 7.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.453 HG13 ' CG1' ' A' ' 86' ' ' VAL . 12.8 t -50.61 -29.15 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -65.14 -47.06 78.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.5 m -69.38 -48.3 61.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.7 p -50.7 -46.0 58.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 32' ' ' VAL . 27.1 m -63.47 -61.81 2.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.445 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -48.72 -32.67 8.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.9 m -67.2 -34.43 77.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.415 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.435 ' CG1' ' HB3' ' A' ' 59' ' ' ARG . 60.2 t -64.45 -34.18 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.358 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -78.15 -10.92 59.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.24 23.93 42.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' ASP . 22.9 m170 -87.43 -6.96 58.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.64 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' HIS . 11.4 m-20 38.96 76.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -172.64 83.75 0.43 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -19.85 17.4 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 110.954 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -74.13 -15.31 61.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.6 17.7 17.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.4 t -123.59 157.86 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.52 -177.76 4.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.05 -26.3 14.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.8 p -115.91 45.31 1.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 110.398 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.487 ' CG2' ' HD2' ' A' ' 46' ' ' PRO . 2.0 m -110.8 147.16 35.91 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 0.0 110.401 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.487 ' HD2' ' CG2' ' A' ' 45' ' ' THR . 18.3 Cg_endo -74.99 98.2 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.458 1.767 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.572 ' CE1' HG11 ' A' ' 77' ' ' VAL . 5.2 p90 -48.4 -35.16 12.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.162 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.444 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.5 ttmt -49.33 -34.12 14.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -71.16 -33.35 69.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.474 ' HB3' ' CD2' ' A' ' 33' ' ' LEU . 53.4 mt -53.89 -36.13 62.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.352 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.04 58.34 0.42 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.429 1.081 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.541 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 2.4 m-30 -112.14 153.72 26.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -158.23 -76.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 58' ' ' VAL . 14.8 m -132.8 -61.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -55.79 29.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.541 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -65.06 -27.63 68.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.52 -28.58 59.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' SER . 3.6 t -89.21 -26.37 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.435 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 5.2 mtt180 -64.09 -42.59 96.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.469 ' CD1' ' HG ' ' A' ' 64' ' ' LEU . 48.5 tp -66.65 -59.08 3.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 5.9 tmm_? -50.09 -25.75 3.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -77.24 -45.61 25.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.79 -46.71 57.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 60' ' ' LEU . 8.5 mt -57.33 -21.29 34.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -54.81 -18.92 5.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.46 -18.51 21.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.468 ' CB ' HD22 ' A' ' 24' ' ' LEU . . . -94.94 7.2 46.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -143.02 -71.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.423 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.89 -14.33 5.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.518 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -108.46 -170.99 1.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 0.754 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 14.0 mtt180 -98.25 3.41 48.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.486 ' O ' ' O ' ' A' ' 71' ' ' ARG . 12.5 mt 53.83 163.42 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.416 ' CD ' HD23 ' A' ' 72' ' ' LEU . 18.3 Cg_endo -74.98 132.87 15.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.9 p -54.85 -23.16 17.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 78' ' ' PHE . 51.9 m -81.13 -11.77 59.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.418 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.475 ' CD1' HD22 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -39.85 -55.32 2.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.297 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.572 HG11 ' CE1' ' A' ' 47' ' ' PHE . 54.2 t -84.7 44.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 75' ' ' THR . 2.4 t80 -154.21 -42.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -94.03 -11.05 31.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.686 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -98.98 109.67 54.81 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.575 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -44.37 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.474 1.776 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -133.0 -177.11 4.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -70.04 -46.59 64.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.93 -38.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.66 -43.89 29.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.686 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 79.1 t -51.67 -44.97 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.455 ' CB ' HG23 ' A' ' 22' ' ' VAL . . . -46.63 -57.55 4.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -55.78 -65.3 3.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER -37.67 -38.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.989 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.46 ' CD1' HD11 ' A' ' 76' ' ' LEU . 6.3 mp -75.68 -50.37 15.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 88' ' ' GLY . 6.2 t0 -52.17 -43.71 64.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.38 83.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.99 -28.34 66.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.3 mt -90.15 -21.34 22.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.8 m -63.93 175.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -115.62 -69.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.651 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.408 ' HE1' ' N ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -51.68 98.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.431 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -81.62 -59.07 2.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.56 -47.23 28.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.92 -27.07 67.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 5' ' ' LEU . 4.0 ttp180 -70.84 -57.64 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.25 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 11' ' ' GLY . 1.3 mp -68.95 -21.88 64.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.85 72.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 153.66 -20.97 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.59 152.97 1.4 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.439 0.729 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 114.37 4.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -18.32 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.84 23.85 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -129.77 -43.92 1.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.473 ' CZ ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -74.08 -33.53 63.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.408 ' OG1' ' OD1' ' A' ' 91' ' ' ASP . 26.3 m -86.88 -51.66 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.47 -17.23 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 2.0 tt0 -86.28 -63.39 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.412 HD11 ' NH1' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -56.31 -34.85 66.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.408 ' CG2' ' HB3' ' A' ' 87' ' ' ALA . 18.2 t -64.93 -60.66 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -53.44 -19.83 4.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.344 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.455 ' CD2' ' HB3' ' A' ' 67' ' ' ALA . 2.8 tp -90.04 -53.73 4.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.463 HG21 ' CG1' ' A' ' 86' ' ' VAL . 0.3 OUTLIER -52.78 -38.1 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -65.59 -45.07 84.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.475 ' O ' ' CB ' ' A' ' 31' ' ' THR . 92.5 m -69.86 -35.06 74.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.8 m -68.05 -49.67 59.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.466 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 23.6 m -61.19 -35.48 77.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.417 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 35' ' ' HIS . . . -80.61 -36.49 32.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.475 ' CB ' ' O ' ' A' ' 27' ' ' THR . 3.2 m -68.16 -53.93 21.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.368 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.431 HG12 ' CD1' ' A' ' 60' ' ' LEU . 7.7 p -48.32 -36.63 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.506 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -90.92 34.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' THR . . . 43.18 55.99 4.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.505 ' CB ' ' O ' ' A' ' 30' ' ' ALA . 0.9 OUTLIER -133.21 128.23 35.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 0.791 . . . . 0.0 109.566 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -122.34 26.17 8.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.26 78.88 44.27 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -18.77 18.59 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.08 -29.69 67.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.35 14.78 25.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.3 t -117.79 149.49 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -125.08 169.77 11.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.403 ' O ' ' OG ' ' A' ' 84' ' ' SER . . . -77.3 -34.28 55.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.471 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 10.9 p -99.71 36.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.61 151.05 49.84 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.438 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 124.94 8.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 80' ' ' HIS . 18.1 p90 -78.59 -44.5 23.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.591 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 26.3 tttt -60.51 -16.51 37.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.429 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -75.51 -32.91 60.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.448 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 1.6 mt -69.6 -28.04 65.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.96 42.71 0.7 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.577 ' CD1' ' HB3' ' A' ' 56' ' ' ALA . 1.6 m-85 -106.0 144.5 32.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.73 -78.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -116.85 -80.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.031 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.84 -66.1 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.577 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . . . -55.77 -33.92 64.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.362 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.49 ' HB1' ' CG1' ' A' ' 77' ' ' VAL . . . -64.79 -32.25 73.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 54' ' ' SER . 0.4 OUTLIER -81.38 -39.08 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.406 ' N ' HG12 ' A' ' 58' ' ' VAL . 6.3 mtm180 -57.21 -37.1 71.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 63' ' ' LEU . 6.2 tp -64.07 -65.55 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.428 ' CD ' ' HB2' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -39.94 -41.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 58' ' ' VAL . 24.2 m120 -58.69 -48.43 81.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 60' ' ' LEU . 2.0 tt -73.98 -46.77 41.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.465 ' CD1' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -46.62 -33.39 4.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' GLY . 29.8 m120 -52.12 -32.26 34.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.09 -23.88 47.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.455 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . . . -80.7 -19.33 45.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.482 HG23 ' CD1' ' A' ' 90' ' ' LEU . 34.7 p -143.01 -68.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 110.4 7.59 26.11 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.467 ' CD2' ' HG2' ' A' ' 93' ' ' GLU . 4.6 pp -96.24 178.44 5.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.767 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -87.67 79.71 8.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.49 HD22 ' CD1' ' A' ' 76' ' ' LEU . 1.5 mp -50.77 152.69 3.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.577 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -74.99 147.28 33.75 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -72.85 -20.94 61.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 78' ' ' PHE . 50.0 p -86.38 -7.42 58.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.49 ' CD1' HD22 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -40.0 -58.8 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.49 ' CG1' ' HB1' ' A' ' 57' ' ' ALA . 70.0 t -83.38 45.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 75' ' ' THR . 2.0 t80 -153.75 -41.99 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.85 -16.0 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -93.32 114.58 63.23 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.62 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.2 2.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.471 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -141.12 177.58 7.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB2' ' CG1' ' A' ' 25' ' ' VAL . . . -59.99 -43.17 95.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 43' ' ' ALA . 0.3 OUTLIER -38.35 -66.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -47.36 -54.96 9.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.525 HG22 ' CG ' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -45.75 -38.78 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.408 ' HB3' ' CG2' ' A' ' 22' ' ' VAL . . . -59.21 -43.94 92.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -64.38 -63.34 4.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.577 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -39.44 -35.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 0.721 . . . . 0.0 110.978 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.482 ' CD1' HG23 ' A' ' 68' ' ' THR . 4.6 mm? -81.77 -52.47 7.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.408 ' OD1' ' OG1' ' A' ' 18' ' ' THR . 1.7 t70 -52.94 -49.25 66.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.57 -38.04 71.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.354 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.467 ' HG2' ' CD2' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -79.49 -20.9 46.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.473 HD13 ' CZ ' ' A' ' 17' ' ' ARG . 40.8 mt -80.61 -30.27 36.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.534 1.146 . . . . 0.0 111.025 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 m -82.35 111.68 18.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 0.0 109.978 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.2 m80 41.2 -156.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.607 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 11.8 mmt -88.67 53.94 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.5 tp -71.49 -40.66 70.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.66 -47.5 40.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.54 -35.73 68.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 12' ' ' LEU . 5.4 ttm-85 -79.39 -32.29 43.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.03 -52.48 65.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.23 18.39 6.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.19 19.79 2.11 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.589 1.181 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 8' ' ' ARG . 16.4 mt -41.56 101.37 0.24 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 176.96 9.21 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.92 -57.61 11.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 110.33 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.03 -64.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 20' ' ' GLU . 49.1 mm-40 -42.81 -48.99 5.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -42.55 97.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.5 m -64.43 -42.25 96.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.91 -27.64 54.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.5 tt0 -70.43 -49.32 50.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -43.7 89.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.469 HG22 ' CB ' ' A' ' 87' ' ' ALA . 2.7 t -50.53 -60.89 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -38.94 44.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.402 ' C ' ' N ' ' A' ' 26' ' ' ARG . 7.9 tt -68.25 -56.68 7.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 83' ' ' ALA . 67.4 t -45.49 -28.2 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.461 ' CZ ' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.43 -74.53 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.6 p -49.05 -58.2 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.3 p -43.7 -52.21 6.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 32' ' ' VAL . 3.3 m -53.61 -70.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.358 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.33 -38.75 9.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.1 m -61.31 -38.61 87.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.364 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 29' ' ' THR . 93.3 t -59.81 -38.38 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.536 HD21 ' CE1' ' A' ' 52' ' ' PHE . 21.4 mt -66.47 -23.1 66.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.72 29.97 7.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -124.37 171.65 9.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 109.568 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -142.2 69.52 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -163.22 99.7 1.01 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -13.93 21.35 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.547 1.814 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -54.2 -24.21 17.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.457 ' O ' ' CG2' ' A' ' 41' ' ' VAL . . . -91.9 38.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 40' ' ' ALA . 93.7 t -155.61 135.98 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.92 26.74 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.411 ' HA ' ' NH2' ' A' ' 26' ' ' ARG . . . 73.93 -57.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.477 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 1.4 m -96.08 42.17 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.94 159.31 54.75 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 106.4 2.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.494 1.786 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 7.3 p90 -56.9 -43.16 81.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.568 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 14.4 tttp -49.98 -36.63 28.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.32 -35.53 54.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 37.0 mt -52.74 -27.07 16.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.8 35.34 3.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.129 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.624 ' CD1' ' CB ' ' A' ' 56' ' ' ALA . 3.8 m-30 -111.42 139.15 47.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -157.25 -56.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 57' ' ' ALA . 73.2 m -142.99 -75.75 0.26 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.14 -55.63 3.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.624 ' CB ' ' CD1' ' A' ' 52' ' ' PHE . . . -59.1 -38.7 80.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.466 ' HB2' ' CG1' ' A' ' 77' ' ' VAL . . . -66.1 -29.68 70.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -76.76 -41.14 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.96 -31.81 59.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.553 HD23 ' CE2' ' A' ' 52' ' ' PHE . 5.6 tp -75.6 -28.08 58.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.533 ' NH2' ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -74.07 -56.42 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -47.73 -27.97 2.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.345 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.2 OUTLIER -90.8 -60.68 1.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.458 ' CD1' HG12 ' A' ' 86' ' ' VAL . 8.7 mt -45.88 -30.68 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -60.13 -41.36 92.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -77.08 -2.86 36.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -113.01 -4.35 13.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.486 ' CG2' ' CD1' ' A' ' 72' ' ' LEU . 20.0 p -118.35 -59.24 1.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.382 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.84 5.24 51.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.447 ' CD2' ' C ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -131.73 -169.36 2.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 0.758 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -112.2 79.06 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.533 ' CD1' ' NH2' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -50.03 166.85 0.26 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.538 ' HG3' ' CE2' ' A' ' 89' ' ' PHE . 18.1 Cg_endo -75.04 125.69 9.46 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 97.7 p -53.89 -20.62 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.8 p -87.54 -5.5 58.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.486 HD21 ' CZ ' ' A' ' 61' ' ' ARG . 2.3 pp -47.78 -42.98 27.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.589 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . 78.9 t -83.81 37.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -151.17 -40.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.4 -10.56 37.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.674 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 1.8 p-80 -90.61 121.58 68.12 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.585 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -22.67 14.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.768 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.477 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -161.83 167.98 23.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.462 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . . . -56.58 -48.31 77.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.58 -27.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.454 ' N ' ' C ' ' A' ' 83' ' ' ALA . . . -79.09 -53.1 7.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.674 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 27.4 t -42.55 -51.53 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.491 ' HA ' ' CD2' ' A' ' 90' ' ' LEU . . . -57.35 -40.33 77.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -57.56 -51.11 59.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.538 ' CE2' ' HG3' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -55.88 -58.45 7.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 111.001 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.491 ' CD2' ' HA ' ' A' ' 87' ' ' ALA . 1.4 pp -54.58 -48.52 72.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 95' ' ' GLY . 19.7 t0 -42.4 -56.6 2.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.6 -38.23 59.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.2 mt-10 -73.06 -23.96 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 51.4 mt -89.5 -24.1 21.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.145 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 t -171.27 72.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 109.961 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.0 m80 52.53 -170.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.585 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -86.39 48.03 1.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -49.84 -40.74 43.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.06 40.61 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -64.36 -47.54 78.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -60.34 -20.89 61.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 11' ' ' GLY . 3.1 mm? -90.71 24.69 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.99 78.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 160.99 -25.68 0.27 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.24 91.03 4.27 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 160.43 40.31 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -39.31 -33.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.78 -58.55 6.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -61.39 -51.84 67.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -51.4 -55.6 17.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 m -62.09 -43.0 99.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.364 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.24 -19.25 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLU . 3.0 tt0 -89.13 -46.53 8.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.478 ' CD1' HD23 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -62.33 -39.81 94.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.472 HG22 ' CB ' ' A' ' 87' ' ' ALA . 25.5 t -65.84 -70.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -38.61 -30.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.458 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -72.78 -58.15 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.458 ' CG1' ' HB1' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -57.03 -28.52 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.437 ' NH2' ' O ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.38 -67.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.407 ' O ' ' CB ' ' A' ' 31' ' ' THR . 1.2 p -55.4 -40.89 71.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.6 m -64.74 -40.17 94.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.443 ' CG2' HD21 ' A' ' 50' ' ' LEU . 1.9 m -61.67 -71.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.455 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -48.04 -32.3 6.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 27' ' ' THR . 1.3 m -60.63 -32.41 71.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.43 -12.86 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.543 ' CD2' ' CD1' ' A' ' 50' ' ' LEU . 1.9 mm? -100.9 -17.75 16.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.7 -39.68 2.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -86.45 149.88 24.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.607 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -109.01 -30.18 8.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -49.17 106.24 0.6 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -25.36 11.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.31 -30.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.3 49.71 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.087 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -178.04 157.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.437 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -124.03 165.83 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.87 -35.95 62.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.466 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 2.1 m -101.35 36.67 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.459 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.94 146.73 34.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.387 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 111.59 3.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 48' ' ' LYS . 31.8 p90 -56.81 -37.59 71.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.505 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -57.36 -19.56 23.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -94.87 -33.61 12.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.57 HD12 ' CD1' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -64.23 -28.05 69.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.51 44.65 0.89 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.57 ' CD1' HD12 ' A' ' 50' ' ' LEU . 2.3 m-30 -118.32 140.73 49.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 0.747 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -159.99 -78.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 58' ' ' VAL . 50.4 m -123.03 -73.72 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -44.32 -56.56 4.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.563 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -63.11 -34.32 77.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.49 -29.49 69.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.3 t -76.9 -50.96 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.72 -35.15 65.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 63' ' ' LEU . 10.1 tp -73.14 -53.36 11.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.514 ' NH2' ' N ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -47.04 -30.34 2.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -76.14 -36.67 58.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -78.95 -52.88 7.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.439 HD21 ' CG2' ' A' ' 25' ' ' VAL . 4.0 mt -50.91 -37.4 43.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.514 ' N ' ' NH2' ' A' ' 61' ' ' ARG . 1.4 m-20 -57.73 -20.04 31.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.69 -19.13 21.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.439 ' CB ' ' HG ' ' A' ' 24' ' ' LEU . . . -68.0 -24.94 65.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.534 ' CG2' ' CD1' ' A' ' 90' ' ' LEU . 1.9 p -127.76 -42.89 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.398 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.07 8.14 48.38 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.482 ' CD1' ' HG ' ' A' ' 72' ' ' LEU . 1.4 pp -112.29 174.56 5.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -94.32 104.64 16.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.482 ' HG ' ' CD1' ' A' ' 70' ' ' LEU . 11.3 mt -85.29 166.7 29.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 72' ' ' LEU . 18.3 Cg_endo -74.98 146.59 32.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.6 p -70.36 -21.99 62.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 78' ' ' PHE . 80.8 p -77.07 -12.53 59.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.474 HD22 ' CG2' ' A' ' 86' ' ' VAL . 6.9 tt -39.85 -50.48 2.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.467 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 73.1 t -86.25 43.16 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.509 ' N ' ' O ' ' A' ' 75' ' ' THR . 6.9 t80 -147.6 -44.5 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -90.52 -10.87 41.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -98.2 112.64 62.56 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.576 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.448 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 18.3 Cg_endo -74.98 -31.35 6.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.466 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.4 OUTLIER -148.84 165.73 30.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 109.352 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.458 ' HB1' ' CG1' ' A' ' 25' ' ' VAL . . . -53.43 -51.89 61.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -38.62 -32.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.442 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -86.66 -46.83 9.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.474 ' CG2' HD22 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -55.81 -42.58 70.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.472 ' CB ' HG22 ' A' ' 22' ' ' VAL . . . -49.95 -49.58 49.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -60.71 -67.77 1.98 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.7 OUTLIER -36.21 -33.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 111.03 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.534 ' CD1' ' CG2' ' A' ' 68' ' ' THR . 2.1 tp -85.13 -50.92 7.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.493 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 4.4 t0 -58.83 -23.03 59.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -84.69 -32.48 23.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.32 -20.69 27.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.493 ' CD2' ' HA ' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -90.85 -27.14 19.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.363 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.2 OUTLIER 85.89 -74.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.976 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -163.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.59 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.29 30.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.475 ' CD1' ' HA2' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -49.73 -22.8 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.51 32.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -90.49 38.52 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.19 -26.7 20.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.234 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.6 OUTLIER -59.72 -20.53 57.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.26 70.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 121.22 -12.83 9.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.433 1.083 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 11' ' ' GLY . 0.6 OUTLIER 38.65 88.48 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 168.73 24.18 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 18' ' ' THR . 3.7 ttp180 -38.89 -33.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 18' ' ' THR . . . -55.76 -76.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.99 -43.31 19.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.7 tpp85 -62.61 -29.78 70.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 15' ' ' ALA . 19.3 m -81.65 -38.84 25.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.416 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.92 -39.7 61.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 24' ' ' LEU . 6.4 pt-20 -64.21 -44.82 90.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.46 ' N ' ' CG ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -56.1 -41.91 75.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 87' ' ' ALA . 42.9 t -67.61 -74.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 ptt85 -40.72 -35.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.476 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 7.0 tt -75.28 -52.38 11.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.46 HG11 ' CG1' ' A' ' 86' ' ' VAL . 3.0 t -52.69 -39.79 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 27' ' ' THR . 1.4 mtp-105 -59.16 -76.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' ARG . 40.5 p -35.69 -65.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' THR . 5.9 t -37.48 -65.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.983 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.1 m -41.79 -66.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.448 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.84 -29.3 18.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -71.5 -36.66 71.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.394 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.4 t -60.59 -32.11 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -76.72 -4.11 41.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.16 18.71 49.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 36' ' ' ASP . 6.2 m-70 -91.94 -11.33 36.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.572 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 35' ' ' HIS . 3.6 m-20 38.22 53.13 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.01 111.49 2.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.471 ' O ' ' CG1' ' A' ' 41' ' ' VAL . 18.2 Cg_endo -75.01 -17.19 19.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' PRO . 2.8 mttt -39.66 -29.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' PRO . . . -91.85 50.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 38' ' ' PRO . 3.3 p -172.22 147.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -154.06 22.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 42' ' ' ARG . . . 83.78 -49.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.445 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 2.3 p -100.2 28.33 5.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.341 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.483 ' CG2' ' HD2' ' A' ' 46' ' ' PRO . 1.9 m -92.31 147.17 34.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.362 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.483 ' HD2' ' CG2' ' A' ' 45' ' ' THR . 18.4 Cg_endo -74.93 121.94 6.92 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.602 ' CD1' ' N ' ' A' ' 48' ' ' LYS . 21.5 p90 -72.94 -45.96 55.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.602 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -53.08 -22.57 6.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.23 -38.15 63.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mp -59.96 -31.55 69.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.49 55.44 0.36 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.582 ' CD1' ' HB3' ' A' ' 56' ' ' ALA . 1.4 m-30 -116.72 142.05 47.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 0.789 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.98 -75.3 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 58' ' ' VAL . 68.9 m -130.26 -64.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.042 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -55.66 23.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.582 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . . . -70.83 -23.25 62.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.48 -29.88 59.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 54' ' ' SER . 17.2 t -90.08 -27.08 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -28.73 69.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tp -89.46 -35.88 15.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.505 ' C ' ' CD ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -68.84 -29.53 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.293 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.438 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 4.8 m-80 -80.7 -29.14 36.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 tt -84.04 -39.08 20.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 mt -65.8 -13.2 59.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -58.76 -20.58 50.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.21 4.95 50.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.461 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . . . -113.06 -13.02 13.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.47 ' CG2' HD22 ' A' ' 72' ' ' LEU . 6.8 p -123.8 -57.93 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 110.405 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 124.85 -14.68 7.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.88 -169.28 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 72' ' ' LEU . 1.6 ttt180 -90.16 4.35 50.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.481 HD12 ' CD1' ' A' ' 76' ' ' LEU . 7.9 mt 54.5 163.84 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.563 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -75.0 144.61 30.43 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.781 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.4 p -75.55 -19.49 59.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.029 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 79' ' ' ASP . 10.9 p -89.8 -1.53 58.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.42 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.481 ' CD1' HD12 ' A' ' 72' ' ' LEU . 7.7 tt -47.54 -53.4 14.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.467 HG11 ' CE1' ' A' ' 47' ' ' PHE . 6.3 t -85.73 19.02 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -137.64 9.37 2.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.7 OUTLIER -137.42 -37.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.599 ' O ' ' CE2' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -88.08 113.3 54.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.622 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -32.13 5.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 44' ' ' THR . 88.8 m-20 -141.0 145.22 35.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -39.29 -47.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.4 OUTLIER -37.82 -37.14 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.66 -50.35 12.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.547 ' HB ' ' CD2' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -48.01 -49.94 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.459 ' HB2' ' CG2' ' A' ' 22' ' ' VAL . . . -45.29 -57.16 4.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.51 -56.18 16.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.563 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 1.3 t80 -52.47 -33.55 45.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.47 HD12 ' CG2' ' A' ' 68' ' ' THR . 4.0 mt -80.47 -39.9 27.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.2 -47.53 79.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.51 -31.03 69.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.406 ' CB ' ' O ' ' A' ' 89' ' ' PHE . 1.5 tt0 -77.32 -24.62 50.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.0 mt -89.86 -23.87 21.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p -126.95 60.89 1.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.18 -53.69 1.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.547 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -90.08 34.8 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.508 ' CD2' ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -55.29 -19.23 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.424 ' N ' HD12 ' A' ' 5' ' ' LEU . 6.5 mmt180 -61.14 -47.75 84.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.94 -46.82 9.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.88 -58.72 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.8 mt -56.54 -38.39 71.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.81 14.32 4.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -136.89 26.01 3.03 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.1 mt -123.28 76.21 52.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.45 0.735 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 166.05 30.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -37.18 5.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.58 -61.21 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.25 -56.19 3.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -53.43 58.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -54.31 -42.78 70.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.1 -18.22 60.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.09 -43.29 18.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.457 HD21 ' CD1' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -60.09 -48.24 82.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.5 t -59.75 -62.29 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -39.73 -43.78 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -62.46 1.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.46 ' CG1' HG12 ' A' ' 86' ' ' VAL . 47.9 t -42.15 -43.67 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -53.91 -63.95 0.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.443 ' O ' ' CB ' ' A' ' 31' ' ' THR . 2.1 p -62.47 -49.59 74.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.93 -45.46 67.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.449 ' CB ' ' O ' ' A' ' 25' ' ' VAL . 18.0 m -61.37 -67.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.87 -36.98 40.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 27' ' ' THR . 1.7 m -53.3 -34.94 59.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.0 t -66.56 -12.49 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 13.3 mt -103.33 16.54 26.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.74 46.13 24.64 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -138.81 121.99 16.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 109.593 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.48 67.73 7.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -150.74 97.89 3.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -19.1 18.14 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.543 1.812 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.07 -2.81 46.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.33 -16.25 33.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.4 t -124.39 138.87 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -97.6 178.1 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.07 -28.15 21.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.452 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -101.91 8.74 41.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.434 ' OG1' ' HD2' ' A' ' 46' ' ' PRO . 1.7 t -45.78 148.4 1.36 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.531 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.02 5.05 4.22 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.801 . . . . 0.0 111.039 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.592 ' CD1' ' N ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER 65.61 -56.26 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.592 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 1.8 mmtt -58.61 -15.45 11.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.494 ' CG ' ' HG2' ' A' ' 46' ' ' PRO . 2.9 mm-40 -73.96 -32.58 63.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.59 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -89.33 25.02 2.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 36.77 88.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.102 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.59 ' CE1' ' CD1' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -128.38 125.73 39.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 0.758 . . . . 0.0 110.992 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' LEU . 8.1 p30 -134.18 177.71 7.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.3 m -38.54 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -73.28 -67.35 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.77 -40.31 75.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.447 ' HB1' ' CG1' ' A' ' 77' ' ' VAL . . . -61.34 -32.39 72.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -77.93 -40.17 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -69.95 -22.89 63.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.271 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 61' ' ' ARG . 52.6 tp -71.25 -69.38 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -36.76 -54.9 0.9 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -45.21 -52.72 9.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.417 ' C ' ' N ' ' A' ' 65' ' ' ASN . 0.2 OUTLIER -69.37 -48.07 62.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 mt -47.63 -24.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 63' ' ' LEU . 2.6 t-20 -56.81 -25.52 55.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.25 -17.69 48.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.22 -26.18 23.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.444 ' CG2' HD23 ' A' ' 90' ' ' LEU . 39.0 p -120.67 -66.69 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.46 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 104.73 10.45 32.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.4 pp -124.39 -179.71 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 0.0 109.301 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -79.83 87.17 5.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 90' ' ' LEU . 22.0 mt -65.88 161.58 52.98 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.441 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 18.1 Cg_endo -75.09 145.89 31.68 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.6 p -81.81 -8.02 59.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 78' ' ' PHE . 46.8 p -89.58 -13.83 36.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.451 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 1.9 pt? -40.82 -50.67 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.597 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 36.5 t -85.35 43.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -152.65 -42.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.63 -12.39 27.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -100.22 108.92 54.81 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.621 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.0 -36.63 2.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.502 1.791 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -131.68 156.24 46.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -47.66 -53.47 14.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.8 OUTLIER -38.23 -48.6 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.412 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -57.97 -50.71 72.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.46 HG12 ' CG1' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -53.7 -40.28 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.49 -48.11 69.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.85 -46.95 90.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.64 -34.37 62.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.471 ' CD1' HD22 ' A' ' 72' ' ' LEU . 9.1 mp -80.71 -40.67 24.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 95' ' ' GLY . 1.4 t70 -65.24 -46.3 81.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.82 -30.69 65.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -85.05 -20.84 29.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.457 ' CD1' HD21 ' A' ' 21' ' ' LEU . 48.7 mt -90.06 -22.16 21.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 76.47 113.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 4' ' ' MET . 0.2 OUTLIER -128.03 -82.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.633 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.47 ' CE ' ' HB3' ' A' ' 8' ' ' ARG . 1.1 ppp? -36.32 109.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.62 -132.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -83.13 9.96 9.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.462 ' CG ' ' N ' ' A' ' 8' ' ' ARG . 6.4 p-10 -84.79 -50.41 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.47 ' HB3' ' CE ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -79.56 -39.54 31.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.7 mt -57.63 -19.74 28.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.21 17.98 2.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' LEU . . . -140.66 13.02 2.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 11' ' ' GLY . 3.5 mm? 36.57 66.36 1.98 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.76 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 16' ' ' GLU . 18.3 Cg_endo -75.02 156.95 42.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.433 1.754 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.33 -28.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 13' ' ' PRO . . . -67.9 -51.06 52.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 13' ' ' PRO . 5.4 tp10 -59.85 -61.37 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.418 ' NH2' ' HB3' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -48.63 -35.18 13.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.7 m -79.39 -35.6 40.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -73.02 -29.66 63.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.81 -48.03 34.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.48 ' CD1' HD23 ' A' ' 90' ' ' LEU . 1.0 OUTLIER -59.13 -43.66 91.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.515 ' CG2' ' CB ' ' A' ' 87' ' ' ALA . 3.7 t -58.9 -66.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -39.41 -44.96 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.75 -53.45 58.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.401 ' O ' ' OG1' ' A' ' 29' ' ' THR . 16.8 t -55.61 -57.27 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.228 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -42.51 -55.05 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 31' ' ' THR . 3.5 p -66.29 -53.65 34.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 t -46.82 -53.37 12.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.461 HG21 ' CD1' ' A' ' 50' ' ' LEU . 3.6 m -54.55 -71.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.98 -34.86 4.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 27' ' ' THR . 20.2 m -68.14 -38.41 82.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' THR . 55.2 t -59.65 -17.6 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -90.1 -20.16 23.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.19 0.51 29.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -119.08 130.1 55.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 0.768 . . . . 0.0 109.625 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -103.72 71.19 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.23 106.48 3.36 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 41' ' ' VAL . 18.3 Cg_endo -74.98 -15.32 20.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -54.04 -20.29 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.27 23.72 7.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' PRO . 25.6 t -147.89 124.38 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 1.5 mtm180 -92.87 13.49 20.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 42' ' ' ARG . . . 81.84 -51.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -96.45 43.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.43 160.42 30.6 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 123.76 8.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 5.5 p90 -74.1 -28.3 61.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -69.78 -16.59 63.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.53 -26.97 24.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.461 ' CD1' HG21 ' A' ' 29' ' ' THR . 37.9 mt -67.62 -31.09 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.74 41.59 1.56 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.44 1.088 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.402 ' CE2' HD21 ' A' ' 60' ' ' LEU . 5.2 m-85 -95.57 141.53 28.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -149.38 -83.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.8 m -124.99 -63.93 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.0 -54.83 37.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.97 -30.51 68.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.467 ' CB ' ' CG1' ' A' ' 77' ' ' VAL . . . -68.0 -31.35 70.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.417 ' CG1' ' OD1' ' A' ' 62' ' ' ASN . 1.2 t -83.67 -54.14 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.63 -28.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.402 HD21 ' CE2' ' A' ' 52' ' ' PHE . 11.7 tp -86.49 -50.67 6.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.421 ' NH2' ' HA ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -59.38 -15.3 15.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.463 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 29.5 m120 -80.18 -38.72 30.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.58 -51.96 6.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.495 ' CD1' ' CG1' ' A' ' 86' ' ' VAL . 12.3 mt -43.6 -57.81 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 66' ' ' ALA . 3.1 p30 -53.57 -39.44 64.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.466 ' N ' ' OD1' ' A' ' 65' ' ' ASN . . . -67.81 -9.6 45.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.45 24.02 13.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.458 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 1.2 p -141.06 -44.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.392 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.71 -3.83 14.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.438 ' CD2' ' HB ' ' A' ' 68' ' ' THR . 0.7 OUTLIER -119.62 -160.23 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.52 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -109.67 2.49 20.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.52 ' O ' ' O ' ' A' ' 71' ' ' ARG . 18.8 mt 53.24 163.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 156.18 42.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.477 1.778 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.421 ' HA ' ' NH2' ' A' ' 61' ' ' ARG . 10.1 t -79.3 -15.76 57.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.962 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 78' ' ' PHE . 77.1 p -90.33 -7.22 53.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 80' ' ' HIS . 9.6 tt -39.69 -52.93 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.582 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 40.5 t -85.13 44.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.481 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -151.44 -41.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.47 8.07 45.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.597 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 3.7 p-80 -101.32 107.65 51.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.593 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.459 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.4 Cg_endo -75.02 -25.31 11.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -159.69 175.93 12.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 85' ' ' ALA . . . -66.16 -51.91 53.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.37 -27.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.459 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -78.0 -53.05 7.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.153 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.495 ' CG1' ' CD1' ' A' ' 64' ' ' LEU . 88.4 t -44.51 -50.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.515 ' CB ' ' CG2' ' A' ' 22' ' ' VAL . . . -43.94 -57.33 3.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.52 -55.86 20.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.21 -41.64 13.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.747 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.48 HD23 ' CD1' ' A' ' 21' ' ' LEU . 10.8 mp -70.82 -44.69 66.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -61.38 -46.83 88.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.59 -36.86 74.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.47 -27.43 64.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' A' ' 68' ' ' THR . 48.5 mt -87.71 -24.14 23.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.936 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -134.37 -55.54 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 0.791 . . . . 0.0 109.985 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 46.61 -167.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.602 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.439 ' O ' ' N ' ' A' ' 7' ' ' ASP . 0.5 OUTLIER -80.33 52.2 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.7 -43.96 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -47.0 87.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 4' ' ' MET . 0.5 OUTLIER -85.51 49.35 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -87.95 -39.55 14.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.628 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.6 OUTLIER -64.9 -17.22 64.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 12' ' ' LEU . . . -44.79 86.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.628 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 44.25 25.56 0.77 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 11' ' ' GLY . 1.9 mp 40.96 90.61 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' ARG . 18.4 Cg_endo -74.96 176.35 10.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -38.09 -55.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' ARG . . . -40.4 -56.47 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -63.73 -40.86 97.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -57.94 -54.05 51.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.3 m -66.22 -46.98 75.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.14 -22.71 67.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 16' ' ' GLU . 12.1 tt0 -82.33 -43.28 17.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.468 ' CD2' HD21 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -69.84 -30.84 68.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.463 HG23 ' CB ' ' A' ' 87' ' ' ALA . 2.9 t -64.09 -52.8 51.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -54.5 -39.25 67.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 tt -73.35 -45.48 54.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' ' 83' ' ' ALA . 2.2 t -49.31 -48.71 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -62.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -52.65 -47.48 67.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.7 p -54.31 -43.04 70.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.009 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.551 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 25.1 m -61.91 -65.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.417 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.96 -37.01 8.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.3 m -61.09 -37.33 82.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 56' ' ' ALA . 53.3 t -65.12 -18.08 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.429 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 14.9 mt -104.65 29.58 6.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 39.84 46.39 3.05 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -159.64 133.8 7.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 0.796 . . . . 0.0 109.597 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.43 71.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -136.78 91.69 15.26 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' VAL . 18.5 Cg_endo -74.91 -17.2 19.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.041 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -20.64 6.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.48 27.51 4.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 38' ' ' PRO . 49.1 t -137.69 144.44 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.499 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -125.47 9.1 7.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 42' ' ' ARG . . . 83.66 -50.75 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.454 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 6.6 p -90.89 28.5 1.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 110.454 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -85.25 144.74 41.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.393 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.491 ' HG2' ' CB ' ' A' ' 49' ' ' GLU . 18.3 Cg_endo -75.02 137.92 22.31 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' A' ' 48' ' ' LYS . 27.8 p90 -69.78 -40.85 75.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.629 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -64.47 -10.94 28.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.491 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . 1.9 tp10 -87.93 -35.92 17.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.703 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 4.2 pp -85.07 -13.45 50.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.71 60.2 0.94 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.703 ' CD1' ' CD1' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -123.64 140.18 53.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -159.44 -81.2 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 58' ' ' VAL . 73.1 m -120.28 -68.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.003 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 mt -45.59 -53.71 8.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.557 ' CB ' ' CD1' ' A' ' 52' ' ' PHE . . . -63.32 -39.21 93.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.489 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -62.9 -37.41 86.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.1 t -67.85 -45.9 83.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -29.22 70.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.427 ' N ' HG21 ' A' ' 32' ' ' VAL . 7.0 tp -79.73 -40.7 28.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.446 ' CG ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -61.39 -45.97 92.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -55.56 -38.59 69.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -78.55 -54.21 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 8.3 mt -49.55 -39.77 35.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -55.85 -27.26 50.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -85.69 9.75 15.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.11 27.08 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.0 p -148.73 -58.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.424 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 126.68 -14.97 6.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.01 -170.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.515 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -92.45 2.87 56.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.515 ' O ' ' O ' ' A' ' 71' ' ' ARG . 13.3 mt 52.94 164.51 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.423 ' O ' ' CD1' ' A' ' 76' ' ' LEU . 18.4 Cg_endo -75.05 150.4 37.89 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.793 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.1 p -74.92 -23.71 58.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.3 p -92.0 3.22 55.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.428 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.588 ' C ' ' CD2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -57.69 -40.99 80.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.573 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 1.6 t -84.86 4.35 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -109.8 -43.89 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.404 ' HB3' ' CE2' ' A' ' 89' ' ' PHE . 1.7 t70 -75.61 -28.76 59.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.639 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -92.01 112.3 54.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.617 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.455 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -74.96 -37.68 1.95 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -131.54 165.66 23.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.452 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . . . -53.5 -55.52 24.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -37.8 -33.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.943 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.455 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -75.29 -54.56 6.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.639 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -46.57 -42.44 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.463 ' CB ' HG23 ' A' ' 22' ' ' VAL . . . -49.65 -49.62 46.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -62.73 -61.64 6.3 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CE2' ' HB3' ' A' ' 79' ' ' ASP . 0.7 OUTLIER -44.3 -37.58 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 110.952 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.468 HD21 ' CD2' ' A' ' 21' ' ' LEU . 8.9 mp -77.59 -44.58 27.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -58.44 -45.31 88.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.73 -36.25 76.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.03 -22.73 58.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.245 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.1 mt -88.86 -25.02 22.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.934 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.416 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 1.4 m 79.08 147.21 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 0.78 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -74.16 -56.0 5.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.618 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.407 ' O ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -88.44 37.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -57.19 -161.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -67.9 66.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.9 p30 -38.67 -28.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -37.06 -30.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' ASP . 19.6 mt -47.07 -24.98 0.74 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 8' ' ' ARG . . . -84.39 26.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 8' ' ' ARG . . . -145.42 23.68 1.86 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.9 mt -82.06 155.38 69.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -173.2 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.519 1.799 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -61.28 -53.64 54.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.44 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.71 -37.81 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -53.35 52.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 m -55.59 -46.52 77.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.5 -24.16 61.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -73.84 -40.89 62.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.453 HD11 ' CD1' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -75.74 -23.98 56.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.91 -72.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -29.53 19.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.606 ' CD1' ' CB ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -60.27 -52.82 63.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.475 ' CG1' HG13 ' A' ' 86' ' ' VAL . 79.0 t -56.62 -60.04 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.465 ' CZ ' HG11 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -38.2 -50.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 m -66.17 -41.2 90.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.43 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 25' ' ' VAL . 1.2 m -65.45 -35.09 79.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.574 HG22 ' CE2' ' A' ' 47' ' ' PHE . 1.7 m -64.26 -71.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 35' ' ' HIS . . . -44.45 -39.32 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.6 m -62.46 -39.02 92.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.351 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.58 HG13 ' CZ ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -59.82 -29.78 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.438 HD13 ' CG1' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -90.68 -20.34 22.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.558 ' O ' ' CG ' ' A' ' 35' ' ' HIS . . . 127.25 -49.65 0.92 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CG ' ' O ' ' A' ' 34' ' ' GLY . 91.5 m-70 -160.54 -119.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 0.0 109.564 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 3.0 t0 85.81 -8.75 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.8 t0 61.14 121.01 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -18.61 18.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -82.58 0.13 44.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.86 20.98 15.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.474 ' CG1' HG22 ' A' ' 45' ' ' THR . 41.2 t -135.7 140.23 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -73.17 -179.86 3.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.37 -21.58 19.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 p -113.28 37.56 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.363 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.474 HG22 ' CG1' ' A' ' 41' ' ' VAL . 0.4 OUTLIER -89.2 157.24 48.16 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.382 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 131.18 13.98 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.45 1.763 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.653 ' CD2' ' NE2' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -82.6 -47.51 12.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -18.08 14.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.43 -32.81 58.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 47' ' ' PHE . 3.1 mt -66.65 -28.89 68.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.22 63.75 0.39 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.58 ' CZ ' HG13 ' A' ' 32' ' ' VAL . 3.1 m-85 -113.42 132.49 55.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.637 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -170.59 122.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 58' ' ' VAL . 7.8 m 37.38 -87.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.637 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -43.54 -70.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.15 -28.83 65.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.57 -28.72 67.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.9 t -91.06 -48.79 13.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.96 -37.51 9.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -73.56 -64.09 1.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.46 -25.4 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -73.28 -41.8 63.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 60' ' ' LEU . 30.1 tp -76.92 -33.49 57.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.8 mt -69.15 -10.37 57.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.36 -9.64 59.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.33 -23.52 22.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.606 ' CB ' ' CD1' ' A' ' 24' ' ' LEU . . . -94.69 1.12 55.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.434 ' CG2' HD11 ' A' ' 72' ' ' LEU . 3.6 p -127.87 -60.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.35 22.77 56.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.43 -177.77 4.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 3.6 ptp180 -86.8 106.82 17.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.434 HD11 ' CG2' ' A' ' 68' ' ' THR . 28.1 mt -96.16 157.82 35.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.5 ' O ' ' CD1' ' A' ' 76' ' ' LEU . 18.3 Cg_endo -75.03 150.24 37.71 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.759 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.2 p -85.44 -17.32 36.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -84.67 -11.93 54.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.415 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.55 ' C ' ' CD2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -51.16 -39.83 57.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.439 ' N ' HD22 ' A' ' 76' ' ' LEU . 2.7 t -62.48 -19.77 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.4 OUTLIER -113.25 -4.19 13.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.041 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 75' ' ' THR . 13.7 t0 -103.83 -17.95 14.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.653 ' NE2' ' CD2' ' A' ' 47' ' ' PHE . 4.1 p-80 -106.38 108.46 61.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.573 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.4 Cg_endo -75.03 -17.77 19.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.1 157.9 36.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.419 ' HB2' ' NH2' ' A' ' 26' ' ' ARG . . . -50.33 -47.91 55.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.61 -25.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.423 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -87.49 -53.94 4.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.57 ' HB ' ' CD2' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -54.99 -41.88 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.421 ' N ' HG11 ' A' ' 86' ' ' VAL . . . -53.47 -37.74 62.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -71.01 -61.62 3.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.02 -33.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.431 HD13 ' CD2' ' A' ' 72' ' ' LEU . 8.8 mp -78.28 -43.1 28.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 88' ' ' GLY . 2.6 t70 -62.92 -46.62 86.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.76 71.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -75.74 -24.87 56.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.453 ' CD1' HD11 ' A' ' 21' ' ' LEU . 8.0 mt -85.01 -26.64 26.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 111.017 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.29 -78.06 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 110.02 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 60.32 -165.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.624 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 30.4 mmt -85.42 45.13 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.976 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.492 ' CD2' ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -61.24 -15.64 36.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.421 ' N ' HD11 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -67.78 -44.99 76.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.282 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -89.63 -11.64 41.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -41.59 11.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.496 ' C ' ' H ' ' A' ' 11' ' ' GLY . 1.1 pp -54.0 -20.45 6.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.413 ' N ' HD12 ' A' ' 9' ' ' LEU . . . -72.72 10.68 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 9' ' ' LEU . . . -143.0 16.17 2.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 1.6 mm? 39.52 65.69 3.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -172.41 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.451 1.764 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -73.15 -32.14 64.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 19' ' ' ALA . . . -60.78 -53.9 51.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -64.78 -57.76 8.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -48.27 -35.42 12.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.405 ' CB ' ' O ' ' A' ' 14' ' ' ARG . 52.4 m -83.67 -37.28 23.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -66.45 -27.99 68.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.29 -39.28 33.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.457 HD23 ' CD2' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -69.25 -31.04 69.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -65.35 -65.53 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -53.68 -19.93 4.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.407 ' CD2' ' C ' ' A' ' 24' ' ' LEU . 3.1 tt -82.09 -43.98 17.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.468 HG11 ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -70.28 -20.43 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.35 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -76.89 -47.65 20.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -77.85 -42.2 34.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.365 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.7 m -60.96 -34.02 74.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.642 ' CG2' ' CE2' ' A' ' 52' ' ' PHE . 3.3 m -71.26 -62.77 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.67 -30.3 3.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 43.0 m -64.28 -34.48 78.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.428 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' THR . 86.1 t -59.75 -37.31 70.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.568 HD12 ' CZ ' ' A' ' 52' ' ' PHE . 4.0 mt -67.68 -23.52 65.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.9 53.6 1.62 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.01 176.97 11.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 109.604 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -142.0 56.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.16 82.99 67.15 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' VAL . 18.4 Cg_endo -74.92 -19.64 17.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -51.74 -28.93 16.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.62 29.14 5.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' PRO . 78.4 t -127.92 139.95 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.408 ' N ' HG11 ' A' ' 41' ' ' VAL . 5.7 mtp85 -125.91 -174.96 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.54 -17.93 21.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.473 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 60.2 p -118.27 37.5 4.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.48 ' CG2' ' HD2' ' A' ' 46' ' ' PRO . 2.7 m -91.72 146.75 33.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 45' ' ' THR . 18.2 Cg_endo -75.01 104.34 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.58 ' CE1' HG22 ' A' ' 29' ' ' THR . 1.6 t80 -56.5 -46.85 80.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.38 -36.88 69.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 51' ' ' GLY . 3.4 mm-40 -65.45 -43.81 89.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.518 ' CB ' ' CE2' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -44.88 -26.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 49' ' ' GLU . . . 102.24 35.99 3.74 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.642 ' CE2' ' CG2' ' A' ' 29' ' ' THR . 29.3 m-85 -100.98 106.97 18.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.74 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' SER . 6.0 m-20 -95.28 178.77 5.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 53' ' ' ASP . 4.0 m -37.1 -37.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.48 -64.44 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.477 ' CB ' ' HA ' ' A' ' 52' ' ' PHE . . . -54.59 -42.23 70.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.407 ' CB ' HG13 ' A' ' 77' ' ' VAL . . . -58.74 -32.2 69.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -83.48 -57.46 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.418 ' N ' HG12 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -40.69 -35.22 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.463 HD21 ' CG2' ' A' ' 77' ' ' VAL . 2.0 tp -77.48 -45.46 25.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -60.93 -25.7 66.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.271 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.45 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 13.1 m120 -78.11 -31.39 49.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.43 -46.69 10.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.1 mt -56.17 -18.74 10.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -59.0 -19.79 46.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.03 -18.39 21.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.75 -35.49 67.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.416 ' CG2' HD21 ' A' ' 90' ' ' LEU . 1.6 p -106.26 -31.78 8.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.59 11.62 68.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.6 pp -129.8 177.08 7.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 0.752 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -85.28 99.5 11.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.8 mt -78.53 159.93 73.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.435 ' O ' ' CD1' ' A' ' 76' ' ' LEU . 18.2 Cg_endo -74.98 147.01 33.41 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.53 1.805 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.8 p -75.44 -21.88 57.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 78' ' ' PHE . 70.8 p -90.65 -1.16 57.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.433 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.569 ' C ' ' CD2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -52.26 -40.47 61.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.517 HG22 ' CE2' ' A' ' 47' ' ' PHE . 1.0 OUTLIER -69.06 -19.95 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 75' ' ' THR . 1.2 m-85 -91.88 -51.38 5.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -59.34 -29.63 67.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -94.9 113.46 61.33 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.622 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -33.14 4.85 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.545 1.813 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.473 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -140.06 162.57 34.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 85' ' ' ALA . . . -52.17 -51.75 56.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -37.54 -31.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.953 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -83.79 -52.1 6.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.574 HG22 ' CE1' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -47.18 -41.83 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.416 ' N ' HG11 ' A' ' 86' ' ' VAL . . . -53.43 -43.16 67.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.13 -59.35 7.52 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -44.3 -33.98 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 0.796 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.457 ' CD2' HD23 ' A' ' 21' ' ' LEU . 3.3 mp -81.96 -47.78 12.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -55.32 -48.65 73.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.04 -38.44 70.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -70.87 -26.57 63.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.7 mt -86.44 -24.91 25.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.11 . . . . 0.0 111.013 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -160.4 -177.06 5.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 0.757 . . . . 0.0 109.963 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -90.75 -92.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.596 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 54.9 tpp -82.83 100.32 10.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.46 -35.26 14.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -53.54 23.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.93 30.68 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -90.27 -32.55 16.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -88.94 -49.69 6.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.24 17.83 3.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -140.91 24.63 2.58 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 12' ' ' LEU . 1.5 pp -98.42 109.85 54.22 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -166.24 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.534 1.807 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -61.21 -32.52 72.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.73 -72.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 5.1 mm-40 -41.17 -45.35 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -61.53 -56.15 23.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.348 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 m -58.55 -47.69 83.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.367 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.54 -21.82 65.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 0.7 OUTLIER -78.5 -43.24 27.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.477 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -58.26 -46.46 85.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.343 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.468 HG23 ' CB ' ' A' ' 87' ' ' ALA . 54.9 t -58.87 -64.06 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -42.22 -29.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -87.01 -42.78 12.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 21' ' ' LEU . 96.7 t -53.96 -41.57 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.446 ' NE ' ' O ' ' A' ' 41' ' ' VAL . 2.1 ttp180 -62.69 -72.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.4 m -49.18 -46.24 45.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 82.6 p -48.47 -42.66 33.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.579 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 16.8 m -72.2 -64.76 0.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.473 ' HB1' ' CD2' ' A' ' 35' ' ' HIS . . . -47.47 -32.42 5.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.5 m -60.97 -34.63 75.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.4 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 29' ' ' THR . 3.4 p -70.6 -24.42 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.489 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 2.2 mm? -76.41 -34.83 58.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.71 -5.31 32.74 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.521 ' O ' ' C ' ' A' ' 36' ' ' ASP . 1.0 OUTLIER -95.05 -17.1 22.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.618 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.521 ' C ' ' O ' ' A' ' 35' ' ' HIS . 10.0 t70 30.68 45.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.232 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 35' ' ' HIS . 76.1 m-20 -113.97 96.94 43.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.17 18.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.792 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -19.42 63.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.87 -4.72 27.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.446 ' O ' ' NE ' ' A' ' 26' ' ' ARG . 94.3 t -117.24 142.96 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -117.96 175.51 5.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.74 -22.99 36.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.477 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 8.1 p -115.26 35.32 4.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.8 150.84 37.19 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 110.396 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 101.86 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 47' ' ' PHE . 6.0 p90 -56.67 -25.81 54.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -15.87 62.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -94.24 -23.23 17.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.0 mt -67.36 -27.65 67.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.39 57.26 0.27 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.579 ' CZ ' HG23 ' A' ' 29' ' ' THR . 3.2 m-85 -123.77 147.57 47.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -148.57 -71.68 0.2 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.2 m -138.42 -66.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.2 -45.91 72.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.482 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -65.2 -39.57 93.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.83 -26.39 66.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -87.33 -54.95 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.51 -34.76 5.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.575 HD21 ' CE2' ' A' ' 52' ' ' PHE . 17.6 tp -68.5 -52.69 29.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -39.84 25.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -73.46 -25.85 60.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.6 tt -83.53 -30.51 27.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.472 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 6.4 mt -76.15 -19.81 58.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.07 -15.79 26.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.64 -17.52 20.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.71 -30.2 36.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.428 ' CG2' ' HB3' ' A' ' 90' ' ' LEU . 2.8 p -111.06 -51.53 2.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.1 16.45 50.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 93' ' ' GLU . 1.4 pp -131.46 -174.99 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.477 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 1.1 ptp180 -79.47 98.89 6.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.496 ' CD1' ' CD2' ' A' ' 90' ' ' LEU . 34.8 mt -82.79 159.73 62.72 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.566 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.4 Cg_endo -75.01 144.69 30.52 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.0 t -78.58 -17.63 55.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.965 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 78' ' ' PHE . 7.8 p -89.66 -1.71 58.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.411 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.451 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 2.6 tt -39.22 -56.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.533 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . 50.4 t -85.42 44.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.5 OUTLIER -156.09 -41.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.76 -11.0 37.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.554 ' C ' ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -90.7 139.66 26.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.603 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.416 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -74.98 -58.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.549 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 54.4 m-80 -128.45 -97.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -143.25 -31.27 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.34 -33.64 54.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.416 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -81.24 -41.77 21.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.525 ' CG2' ' CG ' ' A' ' 80' ' ' HIS . 95.0 t -48.61 -43.92 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.468 ' CB ' HG23 ' A' ' 22' ' ' VAL . . . -54.93 -51.85 64.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.37 -59.87 7.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -49.06 -38.63 24.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 111.06 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.496 ' CD2' ' CD1' ' A' ' 72' ' ' LEU . 8.8 mt -73.88 -37.53 64.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.77 -45.91 70.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.2 79.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.498 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 3.8 mm-40 -69.56 -28.09 65.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.2 mt -88.96 -22.75 22.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.508 1.13 . . . . 0.0 111.056 -179.979 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 p 179.12 -49.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 0.763 . . . . 0.0 109.944 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -105.49 -48.77 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.599 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.8 mmt -80.66 56.19 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mt -73.21 -49.24 29.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -38.84 -50.83 1.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.253 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -40.61 -52.28 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -48.57 -58.37 4.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.0 mt -54.13 -26.23 26.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.47 13.57 3.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 8' ' ' ARG . . . -151.8 20.32 0.89 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 pp -43.57 102.62 0.29 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 14' ' ' ARG . 18.5 Cg_endo -74.94 163.16 35.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.468 ' O ' ' CB ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -37.92 -33.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.946 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' PRO . . . -56.25 -69.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -49.47 -55.31 13.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -37.69 62.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.468 ' CB ' ' O ' ' A' ' 14' ' ' ARG . 16.1 m -72.93 -37.47 67.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.428 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.71 -18.48 54.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -79.62 -49.63 11.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.472 HD13 ' CB ' ' A' ' 90' ' ' LEU . 0.5 OUTLIER -45.93 -52.69 11.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.953 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 87' ' ' ALA . 12.9 t -57.41 -71.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.4 mtt85 -42.24 -27.69 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.449 HD23 ' CB ' ' A' ' 67' ' ' ALA . 1.1 tp -76.47 -58.44 3.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.47 ' CG1' HG11 ' A' ' 86' ' ' VAL . 57.3 t -42.53 -49.93 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -46.89 -62.74 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' ' 31' ' ' THR . 13.3 m -48.79 -35.32 14.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.415 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 t -68.32 -45.2 73.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.584 ' OG1' ' CE2' ' A' ' 47' ' ' PHE . 18.9 m -55.53 -73.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.87 -31.09 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 27' ' ' THR . 3.2 m -73.17 -38.84 66.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 29' ' ' THR . 2.7 p -59.4 -22.19 22.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.418 ' N ' HG13 ' A' ' 32' ' ' VAL . 1.8 mt -90.46 -20.43 22.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.76 43.06 3.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -148.58 169.73 19.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 0.755 . . . . 0.0 109.623 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -127.8 75.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -141.2 80.1 17.14 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -18.26 18.77 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.85 10.21 27.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.22 -14.13 15.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.427 ' CG1' ' CG ' ' A' ' 26' ' ' ARG . 10.8 p -117.81 161.02 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.442 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 1.7 mtm180 -118.61 168.15 10.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.411 ' HA ' ' NH1' ' A' ' 26' ' ' ARG . . . -79.51 -16.39 56.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 p -116.26 29.88 7.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -110.84 141.48 24.23 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.433 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 49' ' ' GLU . 18.4 Cg_endo -74.96 108.77 2.79 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 83' ' ' ALA . 8.7 m-30 -49.0 -20.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -71.6 -31.19 66.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -54.45 -19.09 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.534 ' CD1' ' HA ' ' A' ' 47' ' ' PHE . 1.4 mp -97.51 -17.48 19.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 52' ' ' PHE . . . 127.88 -44.22 1.25 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.533 ' CE2' HD22 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -35.76 135.15 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.997 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 32.5 t0 -170.13 -56.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 57' ' ' ALA . 93.7 p -116.19 -84.4 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.983 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.42 ' N ' ' OG ' ' A' ' 54' ' ' SER . 11.9 mt -41.71 -45.7 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.5 ' O ' ' CG2' ' A' ' 32' ' ' VAL . . . -72.81 -36.55 67.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 53' ' ' ASP . . . -62.5 -38.1 88.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.8 t -76.63 -32.81 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -83.02 -16.05 48.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 110.321 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.533 HD22 ' CE2' ' A' ' 52' ' ' PHE . 9.3 tp -78.58 -50.71 11.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -54.82 -59.04 5.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -44.97 -27.74 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.408 ' N ' ' C ' ' A' ' 61' ' ' ARG . 0.8 OUTLIER -90.42 -38.73 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.267 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.49 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 11.2 mt -74.45 -5.05 40.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -66.74 -38.6 86.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.57 -5.26 59.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.449 ' CB ' HD23 ' A' ' 24' ' ' LEU . . . -80.64 -30.93 36.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.451 ' CG2' HD21 ' A' ' 90' ' ' LEU . 1.2 p -115.66 -39.04 3.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.67 -4.36 24.55 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.493 ' CD1' ' CD ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -119.35 -169.57 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.764 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.499 ' O ' ' O ' ' A' ' 72' ' ' LEU . 14.4 mtm180 -94.27 2.24 55.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.576 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 19.1 mt 52.87 165.01 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 72' ' ' LEU . 18.4 Cg_endo -75.02 133.28 16.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.435 ' O ' ' NH2' ' A' ' 61' ' ' ARG . 57.0 p -56.13 -24.17 39.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.005 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 79' ' ' ASP . 60.7 p -90.52 1.81 56.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.422 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.439 ' CD2' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -40.01 -76.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.439 HG12 ' CD2' ' A' ' 76' ' ' LEU . 32.2 m -59.11 -16.72 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 75' ' ' THR . 4.5 t80 -84.34 -10.39 57.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 75' ' ' THR . 10.5 t0 -127.07 -1.88 6.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -110.84 103.34 54.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.615 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -74.99 -51.0 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -122.07 167.51 13.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.59 ' HB3' ' CE1' ' A' ' 47' ' ' PHE . . . -56.87 -55.55 33.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' ALA . 1.3 t -38.26 -41.48 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.473 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -68.53 -63.08 1.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.529 HG23 ' CG ' ' A' ' 80' ' ' HIS . 0.4 OUTLIER -41.53 -49.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.495 ' N ' ' CG1' ' A' ' 86' ' ' VAL . . . -44.76 -55.35 5.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.09 -60.0 8.69 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.7 -34.26 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.576 ' CD2' ' CD2' ' A' ' 72' ' ' LEU . 75.7 mt -76.9 -38.66 53.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -68.39 -45.74 71.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.33 -36.63 80.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.493 ' CD ' ' CD1' ' A' ' 70' ' ' LEU . 1.2 tp10 -69.95 -27.91 65.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.471 ' CD1' HD21 ' A' ' 21' ' ' LEU . 8.8 mt -90.08 -21.81 22.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.452 ' C ' ' NH2' ' A' ' 14' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.445 1.091 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.42 ' N ' HD12 ' A' ' 12' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p -153.19 -178.47 6.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 66.7 -84.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.409 ' CB ' ' HB2' ' A' ' 7' ' ' ASP . 17.9 mmt -83.64 83.85 7.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 mp -50.01 -29.59 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -76.8 -50.43 13.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.409 ' HB2' ' CB ' ' A' ' 4' ' ' MET . 0.8 OUTLIER -89.47 44.0 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.406 ' HG2' ' N ' ' A' ' 1' ' ' GLY . 9.1 mtm180 -85.19 -40.04 17.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER -83.26 -23.81 32.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.15 68.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 145.91 -15.65 1.75 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 1' ' ' GLY . 0.5 OUTLIER -155.74 91.23 2.76 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -176.89 3.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.772 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -48.92 -37.05 18.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.57 -65.98 0.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLU . 5.9 mm-40 -38.71 -54.86 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -55.24 -54.77 39.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.402 ' OG1' ' OD1' ' A' ' 91' ' ' ASP . 36.8 m -56.59 -43.18 79.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.41 -13.65 60.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' GLU . 9.2 tt0 -87.33 -41.37 13.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -38.67 80.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.406 ' CG2' ' HB2' ' A' ' 87' ' ' ALA . 3.0 t -54.46 -62.22 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.65 -41.7 22.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 tp -67.49 -52.56 37.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.473 HG13 ' CG1' ' A' ' 86' ' ' VAL . 31.3 t -46.81 -38.08 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -71.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 31' ' ' THR . 1.4 p -43.77 -43.29 6.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.34 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.467 ' CA ' HD22 ' A' ' 63' ' ' LEU . 3.5 m -59.45 -48.18 82.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.573 HG22 ' CZ ' ' A' ' 52' ' ' PHE . 100.0 m -55.03 -59.36 4.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.91 -36.1 78.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.409 ' CG2' HD23 ' A' ' 63' ' ' LEU . 1.3 m -55.55 -38.57 69.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 60' ' ' LEU . 6.6 t -60.83 -27.38 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 5.6 mt -86.09 -12.07 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.229 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.86 24.28 76.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.6 OUTLIER -85.41 -13.64 48.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.619 179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' HIS . 6.5 m-20 37.41 65.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -178.3 120.22 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -19.2 18.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.444 1.76 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -63.45 -16.52 60.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.85 27.46 5.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.1 p -168.03 158.24 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -138.44 175.26 9.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.17 -29.54 34.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.7 p -113.49 39.5 2.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.403 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 1.5 m -108.07 143.66 27.82 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.464 ' HG2' ' CG ' ' A' ' 49' ' ' GLU . 18.3 Cg_endo -74.99 140.7 25.79 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 48' ' ' LYS . 7.9 p90 -67.01 -33.1 74.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.536 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -70.12 -7.92 45.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' CG ' ' HG2' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -88.71 -33.74 17.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.533 HD13 ' CD2' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -90.92 -10.55 42.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.54 64.96 1.15 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.573 ' CZ ' HG22 ' A' ' 29' ' ' THR . 1.4 m-30 -121.19 138.34 54.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 5.3 m-20 -156.14 -86.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 57' ' ' ALA . 8.9 p -111.93 -79.73 0.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.961 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.43 -46.03 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.57 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . . . -70.49 -40.26 73.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.491 ' HB2' ' CG1' ' A' ' 77' ' ' VAL . . . -62.42 -40.37 96.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.178 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.423 HG12 ' ND2' ' A' ' 62' ' ' ASN . 2.2 t -67.64 -54.7 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.605 ' HA ' ' OD1' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -56.7 -20.53 22.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.478 HD22 ' CE2' ' A' ' 52' ' ' PHE . 45.2 tp -81.42 -41.93 21.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -68.69 -61.35 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.318 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.605 ' OD1' ' HA ' ' A' ' 59' ' ' ARG . 2.7 p30 -51.35 -24.92 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.467 HD22 ' CA ' ' A' ' 28' ' ' SER . 52.7 tp -85.82 -43.32 13.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.1 mt -72.38 -6.13 41.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.3 -22.17 66.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.29 -15.74 22.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.25 -24.65 59.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.458 ' HB ' ' CD2' ' A' ' 70' ' ' LEU . 36.8 p -129.89 -44.35 1.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.373 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.74 -11.74 15.53 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.458 ' CD2' ' HB ' ' A' ' 68' ' ' THR . 0.6 OUTLIER -95.89 -174.66 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' A' ' 72' ' ' LEU . 3.7 ptp180 -92.96 6.2 48.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 71' ' ' ARG . 1.8 mp 55.11 164.65 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.567 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -75.0 143.64 29.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.0 p -66.44 -24.96 66.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.974 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 78' ' ' PHE . 44.9 p -91.04 4.48 52.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.501 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 4.3 tp -41.38 -61.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.491 ' CG1' ' HB2' ' A' ' 57' ' ' ALA . 86.9 t -87.36 25.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.1 OUTLIER -139.97 9.5 2.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.4 OUTLIER -140.45 -37.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.72 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -87.57 121.59 70.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.585 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.455 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -127.1 -173.95 3.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -77.89 -43.45 30.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.89 -26.95 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 83' ' ' ALA . . . -83.97 -44.57 14.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.72 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 2.7 t -48.16 -50.07 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.406 ' HB2' ' CG2' ' A' ' 22' ' ' VAL . . . -45.94 -49.67 15.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.9 -57.24 20.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.1 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.567 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -51.57 -27.98 12.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.754 . . . . 0.0 110.962 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.448 ' CD2' HG21 ' A' ' 68' ' ' THR . 72.6 mt -85.04 -41.93 15.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.402 ' OD1' ' OG1' ' A' ' 18' ' ' THR . 5.2 t70 -56.45 -47.65 78.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.09 -35.04 74.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -73.52 -25.4 60.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.7 mt -89.75 -23.24 21.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.985 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 m -117.56 48.1 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.036 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -47.31 -41.15 18.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.599 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -90.38 113.76 25.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.88 -21.4 11.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -80.1 3.64 19.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.33 -8.46 46.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -21.37 1.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.492 ' C ' ' H ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER -67.28 -12.56 60.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.943 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.438 ' N ' HD11 ' A' ' 9' ' ' LEU . . . -73.4 9.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.492 ' H ' ' C ' ' A' ' 9' ' ' LEU . . . -83.04 -28.76 36.27 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mm? 39.63 88.94 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.74 . . . . 0.0 109.333 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -174.37 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.799 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -41.98 -38.69 1.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.9 -82.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -43.28 -32.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -62.83 -52.75 61.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.0 m -61.64 -48.09 82.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.422 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.36 -27.6 67.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 3.8 tt0 -69.04 -45.39 70.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.469 ' CD2' HD13 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -60.16 -36.43 77.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.463 ' CG2' ' CB ' ' A' ' 87' ' ' ALA . 40.4 t -62.57 -63.86 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.3 ttt-85 -55.79 -23.75 31.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.348 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.445 HD23 ' CB ' ' A' ' 67' ' ' ALA . 6.2 tt -80.75 -65.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.465 HG12 ' CG1' ' A' ' 86' ' ' VAL . 0.3 OUTLIER -42.8 -33.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.46 ' HG2' ' CG1' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -68.42 -64.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.3 m -51.6 -38.54 55.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.468 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 t -62.13 -54.17 45.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.054 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.573 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 24.4 m -59.59 -46.84 87.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.419 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.72 -29.68 70.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 m -72.58 -34.72 67.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.6 t -62.95 -14.24 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -101.0 17.83 21.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.72 51.01 40.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -156.21 120.63 4.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.613 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.56 63.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.31 85.75 31.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -20.75 16.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.033 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -16.76 25.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.62 -17.77 20.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -78.97 -167.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.628 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 30.9 ttm-85 -153.13 -81.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.628 ' CB ' ' O ' ' A' ' 42' ' ' ARG . . . 153.72 -22.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 p -118.15 16.2 14.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.89 145.58 44.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 117.52 4.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.538 1.809 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -59.69 -23.14 62.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -57.06 -36.08 70.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.41 -16.82 59.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.42 -17.72 53.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.38 85.47 0.85 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.537 1.148 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.573 ' CZ ' HG23 ' A' ' 29' ' ' THR . 0.4 OUTLIER -131.53 138.75 49.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.986 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -135.49 -175.63 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.418 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 3.5 m -56.85 -17.6 9.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.029 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.02 -53.16 4.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.1 -40.75 91.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.47 -36.73 85.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 54' ' ' SER . 2.4 t -72.5 -54.06 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -23.02 15.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.432 ' CD1' ' HG ' ' A' ' 64' ' ' LEU . 1.5 tm? -80.25 -51.6 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -28.27 49.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -74.27 -23.21 59.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 tt -89.43 -45.44 9.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.46 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 4.0 mt -51.06 -23.21 2.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -19.58 17.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.16 -21.73 24.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.445 ' CB ' HD23 ' A' ' 24' ' ' LEU . . . -87.25 -13.17 44.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.485 HG23 ' CD1' ' A' ' 90' ' ' LEU . 23.4 p -139.19 -71.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.91 16.53 25.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 pp -114.74 -170.2 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -82.06 102.18 10.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 59.7 mt -79.75 146.96 65.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.521 ' CG ' ' CE1' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -74.95 153.47 42.07 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.6 p -77.75 -20.93 52.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 78' ' ' PHE . 47.0 p -91.36 -3.48 56.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.481 HD11 ' CG2' ' A' ' 77' ' ' VAL . 0.3 OUTLIER -45.05 -48.86 11.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.532 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 53.9 t -88.97 36.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 75' ' ' THR . 3.5 t80 -148.19 -42.46 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 111.031 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.27 -11.04 53.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.571 ' CG ' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -103.14 106.42 50.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.613 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.478 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.1 Cg_endo -75.03 -24.79 12.43 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.99 162.13 38.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.74 -54.36 29.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.67 -33.87 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 110.038 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.478 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -87.35 -46.78 9.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.571 ' CG2' ' CG ' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -53.34 -41.26 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.463 ' CB ' ' CG2' ' A' ' 22' ' ' VAL . . . -52.37 -44.22 65.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 89' ' ' PHE . . . -65.2 -59.6 7.72 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.116 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.633 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -37.42 -45.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 0.788 . . . . 0.0 111.042 179.973 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.588 ' HG ' ' CZ ' ' A' ' 89' ' ' PHE . 1.2 mt -74.1 -59.49 2.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -43.24 -52.29 5.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.73 -39.69 58.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.7 tt0 -77.42 -22.18 51.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.4 mt -84.33 -28.17 27.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.973 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -119.14 -150.27 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 109.978 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 73.01 -70.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.65 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.33 112.29 23.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.15 -18.43 55.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.62 -44.88 40.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -90.71 36.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -79.42 -50.42 10.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.7 OUTLIER -44.67 -42.45 7.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.12 62.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.56 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 170.05 -25.74 0.1 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 mp 43.12 88.75 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 109.309 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -162.72 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.521 1.801 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -54.23 -49.43 69.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.88 -61.01 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 20' ' ' GLU . 13.5 mm-40 -55.37 -39.95 70.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' HD3' ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -63.18 -47.25 83.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 m -64.29 -45.35 88.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.385 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.9 -22.08 61.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' GLU . 4.2 tt0 -74.85 -41.42 59.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.445 ' CD1' ' HD3' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -67.79 -32.95 73.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.456 HG22 ' CB ' ' A' ' 87' ' ' ALA . 5.1 t -64.94 -51.21 69.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -38.81 71.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' O ' ' CB ' ' A' ' 28' ' ' SER . 2.6 tm? -74.84 -37.01 62.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.466 ' CG1' HG12 ' A' ' 86' ' ' VAL . 2.2 t -56.11 -53.82 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -63.95 -71.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' ARG . 3.8 m -38.27 -31.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 36.9 t -80.62 -51.16 9.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.44 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 98.9 m -48.31 -34.67 10.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.6 -31.39 28.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' GLY . 41.5 m -72.78 -52.45 14.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.446 ' CG1' ' O ' ' A' ' 28' ' ' SER . 0.5 OUTLIER -45.11 -50.43 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.515 ' CD1' ' O ' ' A' ' 51' ' ' GLY . 13.3 mt -67.14 -29.22 68.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.554 ' O ' ' CG ' ' A' ' 35' ' ' HIS . . . 146.41 -62.33 0.46 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.577 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 36.1 m-70 -159.66 -127.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.75 . . . . 0.0 109.594 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.577 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 2.5 t70 88.23 -16.8 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 36' ' ' ASP . 0.3 OUTLIER 58.95 155.72 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -21.12 16.1 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.466 1.772 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -28.98 70.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.61 40.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.1 p -175.88 147.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.04 176.81 5.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.01 -22.68 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -112.57 36.18 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -105.87 156.15 37.11 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.35 12.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.547 1.814 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.474 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 26.2 p90 -76.8 -30.82 56.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -67.22 -10.98 56.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.72 -29.56 12.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -86.09 -13.78 46.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.515 ' O ' ' CD1' ' A' ' 33' ' ' LEU . . . 117.97 121.69 3.14 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CD1' ' HB2' ' A' ' 56' ' ' ALA . 0.1 OUTLIER 169.25 146.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 111.018 179.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.25 -76.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' VAL . 38.4 m -130.76 -65.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.43 -55.45 8.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.569 ' HB2' ' CD1' ' A' ' 52' ' ' PHE . . . -66.66 -32.31 73.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.487 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -66.29 -31.32 72.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.3 t -84.71 -59.54 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.59 -34.8 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.474 HD21 ' CG2' ' A' ' 77' ' ' VAL . 12.4 tp -67.89 -68.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.05 -29.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 60' ' ' LEU . 4.9 m-80 -74.52 -53.27 9.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 60' ' ' LEU . 2.1 tt -66.4 -44.65 82.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' ALA . 5.9 mt -44.35 -30.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -50.5 -35.73 30.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.84 -29.83 70.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . -83.25 -22.84 32.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.475 ' HB ' ' CD1' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -121.47 -88.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 -179.944 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.21 12.83 7.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.565 ' CD2' ' C ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -121.98 -173.61 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 109.314 179.938 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -81.35 81.54 7.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.475 ' HG ' ' CD2' ' A' ' 70' ' ' LEU . 19.6 mt -62.94 160.15 40.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.502 ' CD ' ' HE1' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.02 148.63 35.48 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.0 m -81.1 -21.61 39.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 79' ' ' ASP . 33.8 p -92.27 2.69 56.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.592 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -53.68 -40.81 66.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.542 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 2.1 t -79.82 1.68 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -119.05 -12.58 9.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.4 OUTLIER -108.45 -8.37 15.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.614 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -112.27 103.19 55.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.592 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.458 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.03 -22.26 14.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -152.63 168.68 24.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.88 -54.62 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.19 -27.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.458 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -88.16 -47.65 8.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.58 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -55.02 -46.21 77.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.456 ' CB ' HG22 ' A' ' 22' ' ' VAL . . . -46.82 -51.08 17.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -57.61 -57.42 19.88 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.123 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.592 ' CZ ' ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -45.7 -48.67 15.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 0.745 . . . . 0.0 111.008 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.583 ' HG ' ' CE2' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -60.79 -48.04 83.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -50.07 -23.65 2.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.85 -34.2 30.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 90' ' ' LEU . 6.3 mm-40 -73.48 -29.62 62.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 mt -91.38 -20.16 22.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.445 1.091 . . . . 0.0 111.0 -179.997 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 3' ' ' HIS . 0.6 OUTLIER 179.94 -79.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 109.975 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.486 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.9 OUTLIER 86.58 -48.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.571 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -8.96 58.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.2 tp -47.72 -40.96 21.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -50.32 12.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.4 43.91 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -88.33 -25.34 22.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER -86.53 -23.7 25.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.75 71.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 117.26 19.54 5.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' GLY . 1.8 pp -37.82 98.65 0.17 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 11' ' ' GLY . 18.2 Cg_endo -75.03 -177.35 3.41 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.27 -45.24 17.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.15 -70.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLU . 3.1 mp0 -41.61 -49.0 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -57.13 -54.56 45.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 m -60.4 -42.65 96.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.07 -22.96 63.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.8 tt0 -76.31 -49.63 16.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.477 ' O ' ' CG1' ' A' ' 25' ' ' VAL . 2.5 mm? -46.39 -57.04 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 25' ' ' VAL . 99.4 t -53.23 -62.76 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 27' ' ' THR . 5.1 mmp_? -41.11 -25.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -90.83 -47.92 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 22' ' ' VAL . 1.5 m -57.27 -37.23 55.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -77.19 -71.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.406 ' O ' ' CB ' ' A' ' 31' ' ' THR . 39.0 m -39.21 -50.12 1.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.9 m -61.99 -56.11 22.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.431 HG22 ' CD1' ' A' ' 50' ' ' LEU . 2.0 m -46.29 -62.98 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.18 -37.49 69.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 27' ' ' THR . 3.5 m -64.13 -36.52 84.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.6 t -60.5 -53.15 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 31.0 mt -54.73 -26.54 34.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.22 30.64 4.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.147 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -136.49 101.9 4.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.732 . . . . 0.0 109.603 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -83.27 73.09 10.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.91 97.8 1.68 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -23.34 14.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.551 1.816 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -13.16 58.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -104.46 36.37 2.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.7 p -174.94 152.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.79 -176.21 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.73 -14.65 19.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 p -108.06 20.57 18.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.401 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.59 148.78 55.84 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.449 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.49 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -75.03 104.75 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 80' ' ' HIS . 28.1 p90 -46.68 -24.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -59.64 -22.59 62.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.242 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -90.31 -6.9 54.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.499 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 39.0 mt -92.13 33.98 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 43.81 28.81 1.23 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 56' ' ' ALA . 2.4 m-30 -99.21 140.03 33.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -158.74 -66.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' VAL . 58.5 m -129.4 -80.79 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.4 -62.2 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.556 ' HB2' ' CD1' ' A' ' 52' ' ' PHE . . . -58.95 -30.73 68.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.464 ' HB2' ' CG1' ' A' ' 77' ' ' VAL . . . -69.7 -29.76 67.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.5 t -90.37 -23.93 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -28.51 63.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 tp -90.73 -28.83 18.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -73.14 -27.01 61.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.444 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -83.66 -23.18 31.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 tt -87.97 -46.41 9.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.477 ' CD2' HD21 ' A' ' 24' ' ' LEU . 12.9 mt -59.72 -16.17 25.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -58.53 -17.79 24.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -106.17 21.13 17.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.483 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . . . -132.7 11.6 4.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.472 HG21 ' CD2' ' A' ' 90' ' ' LEU . 1.1 p -147.49 -53.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.46 3.49 22.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.428 ' CD2' ' HG2' ' A' ' 93' ' ' GLU . 0.6 OUTLIER -121.92 179.16 4.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.472 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -83.59 3.11 34.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.472 ' O ' ' O ' ' A' ' 71' ' ' ARG . 0.5 OUTLIER 56.57 156.09 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.54 ' CG ' ' CE1' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.03 152.94 41.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 94.8 p -77.17 -24.36 51.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.093 . . . . 0.0 109.948 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 78' ' ' PHE . 18.7 p -92.75 1.85 57.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 110.42 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 0.5 OUTLIER -45.63 -47.49 14.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.49 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 69.0 t -90.88 36.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -144.36 -43.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.37 -8.39 57.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.578 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -104.53 105.45 50.18 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.563 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -75.02 -31.87 5.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -143.03 171.03 14.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -62.91 -52.37 63.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.81 -25.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.447 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -90.18 -32.94 16.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.571 HG21 ' CD2' ' A' ' 80' ' ' HIS . 0.4 OUTLIER -65.21 -49.85 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.958 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.492 ' N ' ' CG1' ' A' ' 86' ' ' VAL . . . -47.82 -43.54 28.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.2 -54.13 34.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.693 ' CE2' ' HG ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -48.24 -40.78 25.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 0.722 . . . . 0.0 110.985 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.693 ' HG ' ' CE2' ' A' ' 89' ' ' PHE . 12.0 mt -75.41 -53.71 8.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 95' ' ' GLY . 2.5 t70 -46.16 -52.16 12.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.32 -35.63 74.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.428 ' HG2' ' CD2' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -71.37 -27.72 63.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.4 mt -90.08 -21.21 22.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -155.13 145.28 21.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.92 135.13 16.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.619 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -71.63 63.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.992 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' MET . 1.1 pp -61.7 -143.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.5 ptt85 -88.07 19.64 3.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.1 -0.46 57.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.503 ' O ' ' CD1' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -87.52 -44.54 11.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.935 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.453 ' H ' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -90.59 -0.45 57.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.451 ' N ' HD21 ' A' ' 9' ' ' LEU . . . -70.56 49.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 9' ' ' LEU . . . 48.08 20.5 1.39 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 8' ' ' ARG . 2.7 mm? 38.39 88.72 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.774 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -178.09 3.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.521 1.8 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -55.98 -37.02 68.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.91 -69.19 0.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -55.73 -42.41 75.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -54.59 -55.55 28.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.7 m -64.37 -45.02 89.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.72 -17.3 55.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -89.3 -45.9 9.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.7 -55.96 26.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 25' ' ' VAL . 79.6 t -51.92 -67.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' O ' ' OG1' ' A' ' 27' ' ' THR . 0.0 OUTLIER -38.78 -42.39 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.0 tt -70.86 -47.85 57.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 22' ' ' VAL . 9.5 t -51.06 -67.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.424 ' NH1' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -45.14 -68.89 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 31' ' ' THR . 27.4 m -39.13 -48.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.446 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.2 t -63.26 -57.24 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.538 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 3.6 m -53.27 -30.01 36.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.351 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.42 -29.46 22.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' THR . 20.8 m -73.68 -52.03 14.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.454 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 p -48.99 -51.36 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 29' ' ' THR . 9.1 mt -53.75 -26.45 23.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 31' ' ' THR . . . 98.86 49.12 1.67 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -147.55 167.42 24.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 0.733 . . . . 0.0 109.637 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -144.09 47.34 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.07 80.59 64.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -19.09 18.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -3.51 35.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.472 ' O ' ' CG2' ' A' ' 41' ' ' VAL . . . -118.55 38.29 3.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 40' ' ' ALA . 67.9 t -156.74 136.36 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.45 166.91 11.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.31 -19.37 28.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -111.9 32.03 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -93.68 159.22 35.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 133.39 16.53 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.55 1.816 . . . . 0.0 111.05 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.61 ' CG ' ' N ' ' A' ' 48' ' ' LYS . 12.4 p90 -70.5 -46.59 63.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 111.049 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.61 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -56.63 -18.66 12.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -77.8 -36.2 50.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 33' ' ' LEU . 13.9 mt -56.18 -34.62 66.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.54 37.06 0.8 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.578 ' CD2' HG11 ' A' ' 77' ' ' VAL . 5.5 m-85 -97.26 153.14 18.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.784 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.06 -74.84 0.2 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.5 m -140.41 -52.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.7 -51.12 64.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.45 88.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.14 -36.89 75.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.3 t -70.83 -56.95 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -37.21 18.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.02 -54.79 36.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.404 ' NH1' HD22 ' A' ' 65' ' ' ASN . 0.1 OUTLIER -47.64 -51.21 22.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -50.67 -30.8 14.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.05 -40.35 13.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.46 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 2.8 mt -57.75 -32.19 67.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.404 HD22 ' NH1' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -60.95 -19.99 61.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.67 -15.92 20.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.86 -35.5 74.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.241 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.7 p -119.15 -39.35 2.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.7 -2.33 32.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 94' ' ' LEU . 1.1 pp -111.77 -174.74 2.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.75 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.41 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 10.7 ptp85 -85.94 -178.55 6.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.466 ' CD2' ' HG ' ' A' ' 90' ' ' LEU . 77.3 mt -155.42 158.04 31.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 151.3 39.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.2 t -71.58 -18.32 62.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.03 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 78' ' ' PHE . 24.2 p -89.86 -5.71 56.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.398 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.478 ' CD2' HG21 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -40.58 -58.44 1.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.335 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.578 HG11 ' CD2' ' A' ' 52' ' ' PHE . 70.5 t -87.94 38.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.481 ' N ' ' O ' ' A' ' 75' ' ' THR . 7.4 t80 -143.84 -44.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.59 -15.8 36.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.556 ' C ' ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -90.23 127.59 52.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.61 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.01 -47.44 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.539 1.81 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.1 178.43 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.424 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . . . -63.58 -48.43 77.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -38.93 -36.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -75.58 -54.6 6.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -47.28 -46.68 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.443 ' N ' ' CG1' ' A' ' 86' ' ' VAL . . . -49.3 -46.27 46.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.55 -63.48 4.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.49 ' O ' ' CG ' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -39.47 -39.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 111.012 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.466 ' HG ' ' CD2' ' A' ' 72' ' ' LEU . 2.6 mp -75.76 -49.7 17.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.513 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 0.7 OUTLIER -56.86 -35.82 69.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.245 -179.961 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.25 -32.44 55.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 5.7 mm-40 -76.16 -28.42 57.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.513 ' CD2' ' HA ' ' A' ' 91' ' ' ASP . 4.1 pp -91.07 -23.16 20.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.996 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.47 154.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 110.034 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -109.25 -93.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.602 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -0.04 18.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.4 ' CD1' ' HB2' ' A' ' 9' ' ' LEU . 2.5 tm? -89.39 -6.48 56.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -35.76 79.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -58.64 -43.59 89.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.13 -44.84 15.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.43 ' C ' ' H ' ' A' ' 11' ' ' GLY . 7.3 tp -54.38 -52.19 62.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.59 5.96 3.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 9' ' ' LEU . . . -112.86 -6.64 22.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.51 153.6 53.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 138.68 23.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.436 ' NH1' ' O ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -43.03 -35.72 1.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.53 -55.92 21.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 9.5 mm-40 -55.34 -36.19 66.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ttm-85 -68.17 -48.42 65.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.6 m -67.62 -50.16 59.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.77 -15.26 52.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 5.7 tt0 -89.17 -55.27 3.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.475 ' CD2' HD13 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -61.85 -38.93 90.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.465 HG21 ' CB ' ' A' ' 87' ' ' ALA . 2.4 t -53.36 -74.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -42.02 -33.2 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.42 ' HG ' ' N ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -70.61 -54.42 12.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.42 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 90.9 t -47.79 -47.09 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -53.91 -61.75 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 m -60.42 -22.83 63.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 p -73.41 -36.66 66.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.582 ' CG2' ' CE2' ' A' ' 52' ' ' PHE . 2.6 m -76.37 -51.68 11.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.417 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.48 -32.49 3.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.5 m -58.56 -34.1 70.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.388 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.511 ' CG1' ' CB ' ' A' ' 56' ' ' ALA . 13.2 t -65.3 -20.09 26.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 54.9 mt -102.1 28.05 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 38.59 47.0 2.21 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -131.9 159.39 38.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 109.606 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.33 64.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -165.75 112.06 0.77 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -18.52 18.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -19.28 43.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.58 31.73 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -176.14 157.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.5 178.96 4.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.24 -28.24 21.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.3 p -115.0 41.22 2.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.424 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.48 157.26 34.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 111.68 3.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.444 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 8.8 p90 -58.67 -14.66 8.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.04 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.47 -10.05 59.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -95.72 -28.14 14.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.958 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.498 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 4.1 pp -79.72 -16.37 55.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.76 115.92 2.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.582 ' CE2' ' CG2' ' A' ' 29' ' ' THR . 0.1 OUTLIER -156.07 144.65 20.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.754 . . . . 0.0 111.032 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.543 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 65.5 m-20 -153.38 -175.16 5.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -59.31 -15.5 16.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.005 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.55 -58.0 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.511 ' CB ' ' CG1' ' A' ' 32' ' ' VAL . . . -66.21 -36.46 83.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 53' ' ' ASP . . . -65.8 -37.04 85.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 t -75.17 -32.67 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -72.09 -24.91 61.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.456 HD21 ' CZ ' ' A' ' 52' ' ' PHE . 10.4 tp -77.88 -57.78 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.452 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 5.7 tmm_? -53.45 -22.96 8.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -83.22 -27.38 30.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 60' ' ' LEU . 30.5 tp -89.1 -41.27 12.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.8 mt -50.97 -22.54 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 61' ' ' ARG . 3.2 m-80 -53.61 -32.58 51.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.69 18.73 6.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -115.96 -9.81 11.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.177 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.3 p -150.09 -45.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.421 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 123.83 -17.94 7.63 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.407 ' O ' ' OD1' ' A' ' 65' ' ' ASN . 0.3 OUTLIER -93.74 -169.31 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.779 . . . . 0.0 109.327 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.609 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -102.81 0.32 32.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.153 . . . . 0.0 110.303 179.957 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.609 ' O ' ' O ' ' A' ' 71' ' ' ARG . 0.3 OUTLIER 48.85 167.32 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.401 ' HG2' ' CB ' ' A' ' 76' ' ' LEU . 18.3 Cg_endo -74.99 148.66 35.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.809 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.42 ' HB3' ' NH2' ' A' ' 61' ' ' ARG . 26.8 p -81.49 -20.99 39.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.1 p -92.8 3.64 55.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.427 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -64.18 -59.92 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.472 ' N ' ' HG ' ' A' ' 76' ' ' LEU . 2.6 p -39.48 -29.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.445 ' N ' ' C ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -94.93 -44.14 7.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.438 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 9.9 t0 -65.36 -19.8 66.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.651 ' CG ' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -102.7 110.38 63.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.562 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.461 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.02 -27.47 9.96 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.449 1.763 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.13 170.92 16.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.47 -45.17 95.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.94 -29.77 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.461 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -73.63 -60.57 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.651 ' CG2' ' CG ' ' A' ' 80' ' ' HIS . 63.4 t -39.85 -49.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.465 ' CB ' HG21 ' A' ' 22' ' ' VAL . . . -45.87 -50.27 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -58.67 -68.43 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.3 OUTLIER -37.18 -33.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 0.74 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.475 HD13 ' CD2' ' A' ' 21' ' ' LEU . 19.5 mt -85.28 -52.16 6.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.83 -33.75 57.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.88 72.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -76.33 -24.4 54.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.5 mt -90.01 -22.12 22.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.436 ' O ' ' NH1' ' A' ' 14' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -81.97 88.06 6.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 110.007 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -47.53 168.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.586 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.5 mmt -46.05 99.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.407 ' CD2' ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -69.6 -8.63 49.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -89.77 -25.9 20.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 5.9 m-20 -75.93 -20.07 58.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.424 ' NH2' HD22 ' A' ' 12' ' ' LEU . 1.1 ttt85 -55.23 -48.32 74.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 11' ' ' GLY . 26.6 mt -61.6 -20.29 63.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' A' ' 7' ' ' ASP . . . -68.36 61.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 47.8 21.81 1.69 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.424 HD22 ' NH2' ' A' ' 8' ' ' ARG . 2.4 mp 52.59 85.28 0.19 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -175.55 2.41 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -43.77 -60.07 1.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.16 -73.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' GLU . 20.3 tp10 -42.75 -41.92 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.352 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -51.17 70.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.6 m -64.44 -45.34 87.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.392 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.67 -23.69 65.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 16' ' ' GLU . 3.6 tt0 -80.76 -48.12 12.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.472 ' CD2' HD11 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -63.02 -57.05 11.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 21' ' ' LEU . 3.4 t -40.0 -57.52 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -56.61 -38.64 72.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' LEU . 8.3 tt -67.6 -60.78 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.415 HG13 ' CG1' ' A' ' 86' ' ' VAL . 46.3 t -39.17 -64.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.7 -72.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 m -48.43 -51.75 25.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.432 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.1 t -46.17 -46.95 17.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.577 HG23 ' CE1' ' A' ' 52' ' ' PHE . 1.3 m -63.53 -72.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.427 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.61 -46.6 5.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.1 m -51.33 -41.02 60.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.426 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 29' ' ' THR . 0.8 OUTLIER -57.41 -25.39 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.587 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -98.09 32.3 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.02 22.11 5.99 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.597 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 62.3 m170 -79.66 -101.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 0.0 109.614 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.597 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 6.4 m-20 90.17 42.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -164.04 86.26 1.2 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' VAL . 18.1 Cg_endo -75.03 -15.0 20.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.767 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 38' ' ' PRO . 29.4 pttt -40.29 -29.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' PRO . . . -114.69 54.19 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -160.05 150.37 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 -99.51 167.59 10.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.99 -7.22 52.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -130.54 32.27 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.383 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -89.82 160.82 40.28 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.369 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.418 ' N ' HG22 ' A' ' 45' ' ' THR . 18.2 Cg_endo -75.01 107.95 2.6 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.574 ' CE2' HG21 ' A' ' 29' ' ' THR . 1.8 m-85 -68.33 -35.89 78.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -19.19 7.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.77 -27.37 20.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.411 HD12 ' CG ' ' A' ' 47' ' ' PHE . 80.4 mt -50.34 -41.13 50.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 132.93 55.27 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.577 ' CE1' HG23 ' A' ' 29' ' ' THR . 4.7 m-85 -119.73 152.1 37.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 0.781 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -157.38 -65.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 58' ' ' VAL . 49.5 m -146.05 -63.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.974 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.2 mt -56.58 -51.96 66.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.465 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -65.76 -28.68 69.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.419 ' HA ' ' CD2' ' A' ' 52' ' ' PHE . . . -75.55 -32.28 60.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 54' ' ' SER . 3.1 t -84.0 -25.31 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.467 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . 1.5 ttt180 -75.57 -27.73 58.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.461 HD22 ' CG2' ' A' ' 29' ' ' THR . 32.3 tp -75.5 -56.38 4.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 71' ' ' ARG . 6.1 ttm180 -46.65 -53.5 11.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -53.99 -23.59 13.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -89.91 -59.25 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 9.7 mt -48.75 -23.43 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 61' ' ' ARG . 0.8 OUTLIER -55.31 -29.68 58.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.59 3.05 26.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.23 2.92 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.442 ' CG2' HD23 ' A' ' 72' ' ' LEU . 24.7 p -130.65 -68.02 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.37 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.93 -12.68 6.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 65' ' ' ASN . 0.5 OUTLIER -116.43 -170.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 179.941 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.5 ' O ' ' CD ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -88.39 4.95 44.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.306 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 64' ' ' LEU . 91.5 mt 55.9 162.12 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.076 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.556 ' CG ' ' CE1' ' A' ' 89' ' ' PHE . 18.1 Cg_endo -75.05 132.42 15.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.2 p -55.18 -22.09 16.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 78' ' ' PHE . 59.2 p -87.77 -1.37 57.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.557 ' HG ' ' CE2' ' A' ' 89' ' ' PHE . 4.5 tt -43.36 -57.33 3.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.491 ' CG2' HD23 ' A' ' 76' ' ' LEU . 95.3 t -89.11 24.24 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -138.61 6.97 2.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -147.61 18.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.562 ' CD2' HG21 ' A' ' 86' ' ' VAL . 3.2 p-80 -119.99 105.3 42.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.593 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.431 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 18.3 Cg_endo -75.02 -11.95 21.46 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.454 1.766 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 81' ' ' PRO . 26.6 m120 -162.14 -176.57 5.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . . . -81.82 -46.36 14.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -14.37 20.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.8 -40.58 12.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.562 HG21 ' CD2' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -58.41 -58.67 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.535 ' N ' ' CG1' ' A' ' 86' ' ' VAL . . . -46.29 -37.44 7.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.64 -40.91 96.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.667 ' CG ' ' N ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -61.35 -51.28 69.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 0.78 . . . . 0.0 110.998 -179.949 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.667 ' N ' ' CG ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -64.73 -48.43 74.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 95' ' ' GLY . 21.8 t70 -40.94 -57.47 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.68 -39.01 57.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 90' ' ' LEU . 3.7 tt0 -71.88 -25.53 61.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 mt -88.26 -22.59 23.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.13 -62.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 0.0 109.978 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 176.55 -177.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.598 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.9 mmt -63.01 95.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.03 -44.06 41.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.56 -53.49 8.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' GLY . 16.6 t0 -63.64 -48.12 78.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -45.81 -53.72 9.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.1 mt -51.12 -49.02 61.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.48 17.81 5.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 7' ' ' ASP . . . -147.96 29.03 1.41 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -99.71 109.22 54.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -165.38 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.477 1.777 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -62.86 -43.16 99.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.88 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -38.92 -57.39 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -54.42 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 m -58.21 -39.32 78.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.37 -17.06 60.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.8 tt0 -82.48 -43.62 17.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -54.93 -46.48 74.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.521 ' CG2' ' CB ' ' A' ' 87' ' ' ALA . 2.6 t -61.27 -68.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -47.23 -33.21 5.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.404 HD22 ' CB ' ' A' ' 67' ' ' ALA . 2.1 tt -66.57 -49.77 65.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.7 t -55.09 -34.85 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.541 ' NH2' ' CB ' ' A' ' 43' ' ' ALA . 78.9 mmt-85 -58.32 -63.34 1.31 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -66.64 -44.46 81.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 t -53.15 -42.22 65.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 32' ' ' VAL . 75.9 m -77.78 -57.19 3.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.02 -26.18 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.435 ' N ' ' C ' ' A' ' 29' ' ' THR . 89.1 m -83.81 -38.92 20.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.391 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.594 HG11 ' CE1' ' A' ' 52' ' ' PHE . 1.4 p -56.16 -25.91 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.459 ' CD2' HG13 ' A' ' 32' ' ' VAL . 4.0 mm? -91.04 10.1 28.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 65.86 54.72 23.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -147.33 -177.22 5.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.585 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -161.25 70.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -169.8 111.78 0.48 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -12.05 21.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.07 -6.7 44.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.93 37.94 2.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -176.58 160.78 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.56 173.84 8.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.541 ' CB ' ' NH2' ' A' ' 26' ' ' ARG . . . -80.53 -31.61 36.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.47 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 2.4 p -112.42 40.47 2.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 0.0 110.363 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.43 152.46 37.8 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.443 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.45 ' HG2' ' CG ' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -74.97 120.04 5.91 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.536 1.809 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.613 ' CD1' ' CE1' ' A' ' 80' ' ' HIS . 25.7 p90 -48.66 -47.91 40.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.515 ' N ' ' CD2' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -47.74 -55.89 8.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.45 ' CG ' ' HG2' ' A' ' 46' ' ' PRO . 15.5 mm-40 -44.1 -39.71 4.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.487 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -93.16 45.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.431 ' O ' ' CD1' ' A' ' 33' ' ' LEU . . . 38.58 92.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.594 ' CE1' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -162.59 124.9 2.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 110.976 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.638 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -170.55 126.74 0.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.527 ' CA ' ' HB3' ' A' ' 57' ' ' ALA . 3.4 m 32.72 -88.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.638 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -34.5 -78.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.96 -36.11 59.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.527 ' HB3' ' CA ' ' A' ' 54' ' ' SER . . . -60.02 -27.05 66.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 54' ' ' SER . 1.1 t -83.99 -57.61 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 58' ' ' VAL . 12.7 ttt180 -38.21 -30.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.481 ' HB2' ' CG2' ' A' ' 32' ' ' VAL . 1.8 tp -85.38 -50.72 7.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -49.21 -28.2 4.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.257 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.443 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -71.54 -33.08 68.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -87.63 -40.78 13.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.6 mt -50.18 -22.97 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -57.96 -20.48 38.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.03 -18.46 21.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.404 ' CB ' HD22 ' A' ' 24' ' ' LEU . . . -61.19 -42.95 99.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.439 ' HB ' ' CD2' ' A' ' 70' ' ' LEU . 3.0 p -111.68 -30.97 7.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.2 4.03 53.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.462 ' CD1' ' HG2' ' A' ' 93' ' ' GLU . 0.6 OUTLIER -125.49 -173.49 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.424 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 3.8 mtt180 -85.39 167.33 15.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -153.15 162.79 25.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.944 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.503 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 18.3 Cg_endo -75.0 142.29 27.67 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.58 -16.16 60.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.057 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 78' ' ' PHE . 67.1 p -89.71 -8.05 53.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.364 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 73' ' ' PRO . 1.4 pp -46.81 -42.01 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.514 HG13 ' CE1' ' A' ' 80' ' ' HIS . 20.6 t -87.08 38.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' THR . 2.8 t80 -138.74 -44.21 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.31 6.96 44.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.613 ' CE1' ' CD1' ' A' ' 47' ' ' PHE . 5.5 p-80 -96.13 126.64 43.57 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.479 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.4 Cg_endo -75.04 -27.26 10.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.47 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -165.01 160.48 19.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' ALA . . . -46.84 -48.7 20.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -38.88 -29.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.99 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.479 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -77.5 -53.75 7.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.585 HG21 ' CD2' ' A' ' 80' ' ' HIS . 55.0 t -42.32 -49.29 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.521 ' CB ' ' CG2' ' A' ' 22' ' ' VAL . . . -47.0 -42.26 17.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -67.27 -64.59 3.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -39.83 -30.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.75 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 94' ' ' LEU . 6.7 mp -84.18 -46.79 11.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.496 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 2.1 t70 -61.44 -39.56 91.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.22 -28.28 61.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.462 ' HG2' ' CD1' ' A' ' 70' ' ' LEU . 10.9 tt0 -84.52 -23.98 29.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.496 ' CD2' ' HA ' ' A' ' 91' ' ' ASP . 0.3 OUTLIER -89.96 -26.38 20.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.993 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.404 ' N ' ' HB2' ' A' ' 23' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m -137.59 172.57 12.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.044 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 5' ' ' LEU . 2.7 p80 -76.87 147.98 36.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.617 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -59.64 79.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 -179.968 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.547 ' CD1' ' N ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -76.63 -122.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.547 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 25.4 mmt-85 -86.93 65.39 8.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 10' ' ' ALA . 5.4 p-10 -38.29 -29.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 6' ' ' ARG . 0.9 OUTLIER -47.56 -22.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.408 ' C ' ' H ' ' A' ' 11' ' ' GLY . 1.3 mm? -89.1 26.38 1.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 7' ' ' ASP . . . -74.73 5.79 4.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 12' ' ' LEU . . . -91.75 -4.87 67.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.487 ' CD2' ' CB ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -47.78 174.92 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 12' ' ' LEU . 18.2 Cg_endo -75.04 169.46 22.56 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.502 ' CG ' ' OD1' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -39.49 -35.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.99 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.487 ' CB ' ' CD2' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -57.9 -33.25 68.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.981 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 10' ' ' ALA . 2.2 tpt180 -59.36 -52.82 63.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 14' ' ' ARG . 95.0 m -65.35 -48.24 73.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.85 -18.27 63.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 2.1 tp10 -89.95 -43.75 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.457 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 2.7 mt -65.82 -27.41 68.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.25 -64.12 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.432 ' CZ ' HG23 ' A' ' 27' ' ' THR . 4.1 tmt_? -54.78 -36.11 64.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.3 -53.34 54.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.44 HG13 ' CG1' ' A' ' 86' ' ' VAL . 2.1 t -51.42 -42.37 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.6 mtm105 -55.65 -60.6 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.432 HG23 ' CZ ' ' A' ' 23' ' ' ARG . 2.0 p -62.57 -49.14 76.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.437 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -47.9 -50.89 25.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.566 HG23 ' CE1' ' A' ' 52' ' ' PHE . 27.3 m -60.9 -61.69 2.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 110.442 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.93 -33.11 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 m -72.29 -38.88 68.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.556 HG13 ' CZ ' ' A' ' 52' ' ' PHE . 53.3 t -56.22 -37.34 49.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.488 HD21 ' CE1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -90.07 13.76 14.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.23 -43.73 3.23 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.479 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.9 p80 -170.51 -173.02 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.777 . . . . 0.0 109.562 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER 157.2 -26.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 7.9 t0 81.61 125.29 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.05 19.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.441 1.758 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -73.42 -10.31 59.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.35 -19.94 18.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.5 t -87.86 124.63 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.54 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 8.2 mtm180 -100.66 2.59 41.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 42' ' ' ARG . . . 86.62 -44.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.458 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 1.2 p -82.4 8.69 10.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.409 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.531 ' OG1' ' HD2' ' A' ' 46' ' ' PRO . 1.3 t -51.45 152.8 4.22 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.382 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.531 ' HD2' ' OG1' ' A' ' 45' ' ' THR . 18.4 Cg_endo -74.95 6.62 3.27 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.466 1.771 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.572 ' CZ ' HG12 ' A' ' 77' ' ' VAL . 2.4 t80 63.95 -61.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 46' ' ' PRO . 7.3 mttt -42.08 -28.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -54.54 -31.23 56.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.497 ' CD1' ' CG2' ' A' ' 29' ' ' THR . 4.4 mt -68.77 -22.13 64.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.67 -0.01 76.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.11 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.566 ' CE1' HG23 ' A' ' 29' ' ' THR . 1.9 m-85 -46.31 152.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -150.1 -83.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.4 m -126.36 -60.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.46 -53.06 61.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.504 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -60.03 -42.51 94.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.82 -23.92 66.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.17 -38.04 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.5 -38.54 91.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.7 tp -68.87 -30.47 68.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.457 ' NH1' ' O ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -70.15 -48.65 56.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -57.39 -27.11 62.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.42 ' C ' ' N ' ' A' ' 65' ' ' ASN . 0.2 OUTLIER -89.94 -59.72 2.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.355 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 13.7 mt -43.54 -27.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 69' ' ' GLY . 0.8 OUTLIER -53.1 -40.73 64.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -78.22 -20.45 51.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.457 ' HB1' ' CD2' ' A' ' 21' ' ' LEU . . . -73.42 -32.66 64.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.468 ' CG2' ' HG ' ' A' ' 90' ' ' LEU . 20.3 p -109.08 -61.12 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.442 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 134.55 -15.46 4.4 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.85 -169.92 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.562 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -87.33 1.06 54.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.34 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.562 ' O ' ' O ' ' A' ' 71' ' ' ARG . 13.1 mt 50.51 166.09 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.361 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 72' ' ' LEU . 18.1 Cg_endo -75.0 137.02 21.17 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.7 p -64.08 -16.42 61.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.515 ' CG2' ' HB2' ' A' ' 79' ' ' ASP . 0.9 OUTLIER -89.29 -8.2 53.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.488 ' CD1' HD13 ' A' ' 72' ' ' LEU . 9.0 tt -40.87 -54.14 2.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.572 HG12 ' CZ ' ' A' ' 47' ' ' PHE . 52.5 t -84.83 43.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.3 OUTLIER -150.02 -48.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.515 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 1.6 t70 -86.57 -0.82 56.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 1.5 p-80 -101.04 107.72 51.23 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.554 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -74.99 -31.2 6.41 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -143.33 175.25 10.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.94 -50.56 65.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -41.23 -45.6 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.437 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -60.47 -59.51 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.44 ' CG1' HG13 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -44.61 -43.41 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.961 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.13 -57.06 7.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.86 -56.8 18.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.22 -39.61 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.784 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.468 ' HG ' ' CG2' ' A' ' 68' ' ' THR . 4.2 mp -70.65 -42.68 70.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.502 ' OD1' ' CG ' ' A' ' 14' ' ' ARG . 1.7 t70 -61.28 -46.77 88.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.39 -34.18 72.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -75.73 -25.57 56.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.7 mt -84.74 -26.69 27.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.426 ' HA ' ' NH1' ' A' ' 17' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.11 -76.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -39.73 -42.4 1.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.426 ' NH1' ' HA ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -59.15 -55.31 36.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.3 m -60.71 -46.73 89.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.381 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.32 -17.98 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -87.35 -56.73 3.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.424 ' CD2' HD23 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -57.93 -39.37 77.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.584 HG22 ' HB2' ' A' ' 87' ' ' ALA . 9.8 t -54.22 -62.19 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.89 -43.01 13.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 25' ' ' VAL . 1.4 tt -67.95 -49.87 59.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.472 ' N ' HD23 ' A' ' 24' ' ' LEU . 10.6 t -52.86 -45.66 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -56.2 -65.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -54.37 -46.04 72.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.2 t -58.74 -52.55 65.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.785 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 53.8 m -49.21 -57.4 6.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.436 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.64 -29.36 67.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -37.57 86.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.817 HG12 HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -57.42 -30.84 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.817 HD22 HG12 ' A' ' 32' ' ' VAL . 2.3 mm? -74.92 -15.44 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.31 44.17 5.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -160.21 138.72 10.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.626 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -99.14 66.65 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.416 ' OD2' ' HB2' ' A' ' 40' ' ' ALA . 10.3 t70 -133.04 100.99 13.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.483 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.1 Cg_endo -75.02 -14.49 21.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.77 . . . . 0.0 110.956 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -64.33 -12.53 43.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.416 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . . . -99.23 28.0 4.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 38' ' ' PRO . 2.8 p -163.73 148.15 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.623 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 13.6 mtp180 -138.11 23.11 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.366 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.673 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . . . 78.46 -54.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.473 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 6.4 m -93.31 39.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.762 HG21 HD21 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -95.98 159.47 32.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 109.87 3.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.89 ' HA ' HD12 ' A' ' 50' ' ' LEU . 6.7 p90 -58.85 -45.26 90.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.643 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 10.5 tptt -52.9 -41.42 64.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.54 -40.31 80.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.89 HD12 ' HA ' ' A' ' 47' ' ' PHE . 63.7 mt -49.6 -35.1 19.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.44 45.16 0.8 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.785 ' CZ ' HG23 ' A' ' 29' ' ' THR . 26.1 m-85 -111.17 134.89 52.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.746 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.18 -77.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 58' ' ' VAL . 12.2 m -129.45 -63.91 0.92 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.14 -54.32 45.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.96 -22.08 62.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.456 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -79.1 -28.65 43.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' SER . 0.9 OUTLIER -88.48 -42.21 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.465 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -50.05 -38.4 37.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.706 HD13 ' HA ' ' A' ' 29' ' ' THR . 2.8 tp -73.76 -50.0 22.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.649 ' HB2' HD21 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -56.65 -32.87 65.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -65.61 -43.35 89.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.68 -42.66 58.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.78 HD13 HD21 ' A' ' 90' ' ' LEU . 9.2 mt -57.73 -17.79 17.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -60.9 -35.31 76.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.37 13.33 11.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.76 0.45 9.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.841 HG21 ' HG ' ' A' ' 90' ' ' LEU . 4.5 p -140.62 -50.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.36 -19.65 8.07 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.559 HD12 ' H ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -107.73 -169.59 1.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 0.739 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -101.71 4.66 40.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.744 HD11 ' HB3' ' A' ' 64' ' ' LEU . 14.6 mt 55.74 159.78 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.719 ' O ' HD23 ' A' ' 76' ' ' LEU . 18.5 Cg_endo -74.9 143.09 28.98 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 111.035 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.0 m -63.2 -19.05 64.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.949 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.7 p -90.41 -7.41 53.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.725 ' CD1' HG23 ' A' ' 77' ' ' VAL . 1.3 pp -48.42 -44.18 34.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.776 ' O ' HG12 ' A' ' 77' ' ' VAL . 54.3 t -90.25 36.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.97 -43.87 0.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.57 -16.68 38.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.691 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -93.9 111.8 54.43 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.625 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -29.58 8.18 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.772 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.473 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 3.6 m-80 -146.87 173.75 12.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.673 ' HB3' ' HA ' ' A' ' 43' ' ' ALA . . . -60.02 -48.03 83.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.68 -32.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.19 -50.08 12.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.691 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 55.6 t -46.33 -47.74 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.584 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -48.78 -41.21 31.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -67.11 -66.92 2.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.06 -40.34 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.841 ' HG ' HG21 ' A' ' 68' ' ' THR . 6.7 mp -71.21 -43.1 68.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 88' ' ' GLY . 12.3 t0 -59.44 -48.69 80.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.2 -32.35 68.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HB3' HD21 ' A' ' 70' ' ' LEU . 5.6 mm-40 -77.63 -24.53 49.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.7 mt -86.62 -25.66 24.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 18' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.11 -53.22 10.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -61.62 -54.14 46.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -24.87 42.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ARG . 93.0 m -88.48 -33.38 17.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.425 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.5 -38.83 48.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 21' ' ' LEU . 6.8 pt-20 -57.59 -32.99 67.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.702 HD21 ' CG2' ' A' ' 68' ' ' THR . 0.8 OUTLIER -75.56 -47.43 26.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.496 HG22 ' HB2' ' A' ' 87' ' ' ALA . 16.7 t -49.72 -65.91 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.09 -41.57 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.073 HD22 ' HB2' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -71.77 -44.7 63.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.47 HG12 ' HB1' ' A' ' 83' ' ' ALA . 43.7 t -62.88 -32.14 54.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.915 ' NH1' ' HB3' ' A' ' 83' ' ' ALA . 4.6 mtp85 -70.63 -56.34 6.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.467 ' O ' ' CB ' ' A' ' 31' ' ' THR . 8.2 m -68.65 -29.25 67.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.969 ' O ' HG23 ' A' ' 32' ' ' VAL . 16.1 t -66.13 -46.44 77.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.1 m -67.37 -59.02 3.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.63 -38.44 46.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' ' 27' ' ' THR . 2.5 m -62.36 -40.56 96.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.388 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 28' ' ' SER . 48.1 t -57.38 -17.88 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.591 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 1.2 mm? -103.43 28.41 6.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . 35.14 54.25 0.91 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 33' ' ' LEU . 57.9 m-70 -149.15 118.16 6.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.594 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.82 66.88 3.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -155.46 90.3 2.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.416 ' C ' ' N ' ' A' ' 40' ' ' ALA . 18.5 Cg_endo -74.96 -13.75 21.42 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.437 1.756 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.74 -25.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -87.78 43.32 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.838 ' CG1' HH21 ' A' ' 26' ' ' ARG . 47.3 t -154.82 150.75 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.482 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 12.7 mtt180 -138.13 38.59 2.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 26' ' ' ARG . . . 70.33 -58.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 42' ' ' ARG . 82.1 p -96.64 44.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.427 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -88.75 148.14 40.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 45' ' ' THR . 18.1 Cg_endo -75.03 109.74 2.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.545 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 2.4 p90 -58.67 -31.16 67.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.532 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 1.4 tmtt? -56.96 -33.29 66.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -76.44 -0.71 23.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.08 25.11 11.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.55 78.54 0.1 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.852 ' HD2' HG11 ' A' ' 77' ' ' VAL . 1.0 OUTLIER -144.96 145.44 31.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 111.04 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -157.45 -80.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -120.77 -64.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.964 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.09 -63.02 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.593 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -59.52 -33.67 71.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.381 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.446 ' HB1' ' HB ' ' A' ' 77' ' ' VAL . . . -67.83 -29.11 68.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.5 t -84.33 -34.03 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.429 ' HB3' HG13 ' A' ' 32' ' ' VAL . 1.3 ttt180 -62.16 -34.88 77.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' LEU . 30.9 tp -69.59 -61.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.15 -45.38 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -57.55 -41.37 80.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.453 HD22 ' OG ' ' A' ' 28' ' ' SER . 2.8 tt -73.41 -51.28 17.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.496 HD13 HD11 ' A' ' 90' ' ' LEU . 6.4 mt -46.53 -25.79 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 63' ' ' LEU . 4.4 t-20 -53.68 -29.03 36.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.83 -23.6 41.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 1.073 ' HB2' HD22 ' A' ' 24' ' ' LEU . . . -81.08 -27.95 35.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 1.089 HG21 HD22 ' A' ' 90' ' ' LEU . 2.2 p -130.78 -69.17 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.34 12.96 29.77 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.635 HD23 ' HB ' ' A' ' 68' ' ' THR . 1.9 pp -97.32 -171.9 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 72' ' ' LEU . 4.3 mtt180 -88.63 63.67 7.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.975 HD21 HD21 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -40.12 151.41 0.24 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.489 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.01 146.64 32.85 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.436 1.756 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -74.35 -21.99 59.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 78' ' ' PHE . 69.7 p -90.88 1.39 57.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.865 HD11 HG13 ' A' ' 86' ' ' VAL . 1.4 tp -38.43 -60.9 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.852 HG11 ' HD2' ' A' ' 52' ' ' PHE . 82.7 t -84.31 45.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.467 ' N ' ' O ' ' A' ' 75' ' ' THR . 1.1 t80 -153.11 -42.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -93.99 -11.58 30.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.691 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -100.88 131.46 23.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.574 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.464 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -74.98 -45.78 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.459 1.768 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.5 ' C ' ' CE1' ' A' ' 80' ' ' HIS . 0.5 OUTLIER -144.23 175.73 9.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.915 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . . . -57.95 -44.4 86.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.1 -37.51 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.038 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -76.92 -47.69 20.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.865 HG13 HD11 ' A' ' 76' ' ' LEU . 75.1 t -43.99 -43.41 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.496 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -50.75 -54.66 21.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.68 -65.48 3.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.489 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -39.78 -34.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 0.0 111.02 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.089 HD22 HG21 ' A' ' 68' ' ' THR . 22.9 mt -82.18 -50.72 8.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -53.21 -47.97 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.34 -37.05 71.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.75 -21.43 57.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.899 HD11 HG22 ' A' ' 68' ' ' THR . 29.9 mt -87.07 -26.91 23.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 O-C-N 124.455 1.097 . . . . 0.0 110.949 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 18' ' ' THR . 2.4 ttt85 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 18' ' ' THR . . . -41.29 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.31 -40.39 16.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.839 ' O ' HD23 ' A' ' 21' ' ' LEU . 11.0 tpp85 -61.44 -32.58 72.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 14' ' ' ARG . 56.4 m -80.67 -41.1 24.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.33 -39.42 71.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -66.91 -38.71 86.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.839 HD23 ' O ' ' A' ' 17' ' ' ARG . 1.2 mm? -56.47 -46.62 80.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.541 HG22 ' HB2' ' A' ' 87' ' ' ALA . 21.8 t -62.97 -63.97 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -45.31 -36.1 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.266 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.424 HD23 ' C ' ' A' ' 24' ' ' LEU . 9.6 tt -70.65 -55.69 8.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.647 HG21 HG12 ' A' ' 86' ' ' VAL . 24.2 t -49.37 -55.04 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -43.71 -71.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.2 p -53.29 -49.71 66.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.612 ' O ' HG23 ' A' ' 32' ' ' VAL . 31.8 t -49.46 -45.57 46.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.486 HG22 HD22 ' A' ' 50' ' ' LEU . 23.5 m -64.38 -60.83 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.408 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.08 -35.52 47.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.6 m -58.79 -33.86 70.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.365 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 28' ' ' SER . 44.9 t -62.34 -33.88 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.554 HD11 ' O ' ' A' ' 50' ' ' LEU . 2.4 mm? -75.23 -13.25 60.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.68 49.79 4.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.11 169.7 20.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.629 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -139.28 58.49 1.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.35 79.3 66.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.42 18.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.16 -12.6 52.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.87 -6.25 17.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.4 t -109.96 138.73 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.75 173.66 6.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.422 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . . . -89.66 -20.61 23.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -111.59 35.38 3.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -100.78 147.89 34.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.383 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.5 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.1 Cg_endo -74.99 106.54 2.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.558 1.82 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.574 ' CE2' ' O ' ' A' ' 77' ' ' VAL . 18.1 p90 -48.77 -25.34 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -29.19 62.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -81.05 -10.54 59.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.554 ' O ' HD11 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -92.71 28.3 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 39.36 67.2 0.63 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.848 ' CE1' ' HB1' ' A' ' 56' ' ' ALA . 0.6 OUTLIER -125.06 148.99 48.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 0.767 . . . . 0.0 111.006 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -157.62 -85.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' VAL . 22.5 m -117.73 -64.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -63.98 0.96 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.848 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -54.54 -36.6 64.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.454 ' HB2' HG11 ' A' ' 77' ' ' VAL . . . -68.41 -25.79 65.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.7 t -81.81 -54.32 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.552 ' HB3' HG13 ' A' ' 32' ' ' VAL . 1.8 ttt180 -56.02 -23.99 36.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.628 HD12 ' CG2' ' A' ' 77' ' ' VAL . 0.3 OUTLIER -79.11 -62.11 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.68 -38.13 2.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -53.19 -53.23 53.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 1.6 tt -67.3 -36.61 81.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 3.5 mt -51.52 -45.17 62.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -59.55 -22.74 62.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 63' ' ' LEU . . . -86.05 -20.84 28.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . -65.76 -39.0 90.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.7 p -107.85 -41.21 5.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.383 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.78 2.23 39.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.623 HD11 ' HB3' ' A' ' 93' ' ' GLU . 0.8 OUTLIER -111.27 -168.09 1.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -101.39 107.5 18.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.735 HD23 ' HD2' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -107.32 169.18 7.0 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.735 ' HD2' HD23 ' A' ' 72' ' ' LEU . 18.2 Cg_endo -74.97 165.35 31.52 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.8 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.4 p -118.24 -1.4 11.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.8 p -90.14 -23.76 21.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.442 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.011 HD22 ' N ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -45.87 -35.49 4.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.011 ' N ' HD22 ' A' ' 76' ' ' LEU . 2.3 t -49.92 -22.57 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.403 ' N ' ' C ' ' A' ' 76' ' ' LEU . 9.2 t80 -105.41 -21.14 13.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -93.58 -3.85 51.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.88 ' ND1' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -108.29 121.02 44.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.621 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.47 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -75.0 -35.83 2.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.409 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -146.56 163.77 34.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' A' ' 43' ' ' ALA . . . -50.42 -46.15 56.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -39.31 -42.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.997 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.47 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -65.34 -54.9 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.88 HG23 ' ND1' ' A' ' 80' ' ' HIS . 6.8 t -45.77 -43.51 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.541 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -49.59 -51.5 36.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -59.02 -68.14 1.83 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.456 1.098 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.5 -32.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 86' ' ' VAL . 8.4 mp -85.91 -46.05 10.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.486 ' HA ' HD23 ' A' ' 94' ' ' LEU . 1.1 t70 -63.33 -19.71 64.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -90.29 -29.88 17.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.623 ' HB3' HD11 ' A' ' 70' ' ' LEU . 3.2 mm-40 -89.4 -18.87 25.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.708 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -87.23 -29.09 21.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.13 . . . . 0.0 110.989 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.56 -65.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLU . 9.1 tm-20 -53.94 -41.05 67.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -58.5 -51.87 68.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -63.5 -45.52 90.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.02 -22.48 64.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -75.1 -41.76 58.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.82 HD13 ' HB1' ' A' ' 67' ' ' ALA . 1.7 mm? -64.78 -35.05 79.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.041 HG13 HH21 ' A' ' 26' ' ' ARG . 16.9 t -73.69 -70.98 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.32 -29.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' A' ' 67' ' ' ALA . 19.7 tp -78.71 -50.39 11.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 21' ' ' LEU . 9.4 t -54.02 -45.42 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 1.041 HH21 HG13 ' A' ' 22' ' ' VAL . 2.5 ttm-85 -54.02 -61.53 2.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 m -57.08 -48.82 77.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.415 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.638 ' O ' HG23 ' A' ' 32' ' ' VAL . 19.6 m -52.79 -45.48 67.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.958 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.884 HG22 HD22 ' A' ' 50' ' ' LEU . 64.6 m -61.39 -70.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.421 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.4 -38.16 8.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.0 m -54.8 -34.28 62.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 28' ' ' SER . 58.4 t -61.95 -39.89 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.666 HD23 HD23 ' A' ' 50' ' ' LEU . 1.3 mm? -73.11 -19.88 61.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.45 47.89 2.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -149.81 167.22 27.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.593 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -141.33 65.35 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.66 65.37 46.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -19.33 17.96 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -23.36 67.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.5 3.38 54.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.0 t -122.08 128.59 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.449 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -80.07 -174.88 4.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 26' ' ' ARG . . . -92.68 -21.3 20.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -104.87 35.45 2.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.39 148.54 47.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.416 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.5 4.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.507 1.793 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -62.88 -34.71 77.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.44 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 9.1 tttt -56.99 -27.59 61.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -78.13 -2.95 39.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.223 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.884 HD22 HG22 ' A' ' 29' ' ' THR . 2.0 mp -104.77 31.08 4.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 34.61 72.65 0.1 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.69 ' CE2' HG23 ' A' ' 29' ' ' THR . 2.2 m-30 -117.94 131.3 56.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.652 ' H ' ' HB3' ' A' ' 56' ' ' ALA . 12.6 m-20 -145.25 175.57 10.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' ASP . 4.5 m -39.32 -29.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.043 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.45 ' N ' ' C ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -78.8 -62.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.652 ' HB3' ' H ' ' A' ' 53' ' ' ASP . . . -57.09 -40.66 77.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.71 -34.91 78.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.6 t -71.6 -41.37 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -25.22 56.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.501 HD23 ' CG2' ' A' ' 32' ' ' VAL . 0.4 OUTLIER -77.45 -55.4 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.55 -35.38 20.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -59.36 -35.66 74.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.19 -43.5 19.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.495 ' HG ' HD13 ' A' ' 60' ' ' LEU . 3.5 mt -49.54 -32.81 13.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 69' ' ' GLY . 18.0 m120 -53.42 -25.08 14.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.92 -25.88 43.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.82 ' HB1' HD13 ' A' ' 21' ' ' LEU . . . -82.43 -18.95 40.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.619 HG21 ' HG ' ' A' ' 90' ' ' LEU . 1.8 p -132.7 -74.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 105.84 12.88 25.08 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.553 HD11 HD23 ' A' ' 72' ' ' LEU . 4.0 pp -109.99 -164.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.504 ' N ' HD12 ' A' ' 70' ' ' LEU . 5.0 mmt85 -93.48 74.73 4.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.553 HD23 HD11 ' A' ' 70' ' ' LEU . 13.3 mt -53.38 160.38 1.83 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 151.23 39.36 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 m -79.88 -19.7 47.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 78' ' ' PHE . 39.5 p -90.44 -2.51 57.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.474 HD11 HD11 ' A' ' 90' ' ' LEU . 8.1 tt -40.96 -51.6 3.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.62 ' HA ' ' CD2' ' A' ' 80' ' ' HIS . 57.8 t -87.73 44.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.461 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -155.62 -41.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.28 3.1 53.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.62 ' CD2' ' HA ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -104.44 107.46 57.83 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.633 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -14.12 21.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -160.22 176.36 11.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.602 ' HB3' HH12 ' A' ' 26' ' ' ARG . . . -72.06 -49.39 36.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.97 -30.75 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.961 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.03 -51.74 29.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.479 HG12 HD22 ' A' ' 90' ' ' LEU . 54.0 t -53.29 -47.2 57.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.487 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -47.09 -45.08 21.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.68 -64.74 3.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.54 -34.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 0.737 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.619 ' HG ' HG21 ' A' ' 68' ' ' THR . 2.5 mp -78.86 -46.27 18.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -57.07 -47.17 81.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.33 -34.26 76.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.527 ' HB3' HD21 ' A' ' 70' ' ' LEU . 3.6 mm-40 -74.25 -25.83 59.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.41 HD11 HG22 ' A' ' 68' ' ' THR . 18.0 mt -88.75 -23.54 22.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.03 -52.91 18.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -64.05 -37.07 86.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.6 tpp85 -59.7 -52.68 64.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 22' ' ' VAL . 32.4 m -63.74 -46.0 87.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.438 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.55 -26.06 66.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' GLU . 23.0 tt0 -76.37 -50.89 13.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.645 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.77 -42.16 92.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 18' ' ' THR . 7.2 t -50.32 -66.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 ttt85 -49.16 -32.79 10.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.607 HD13 ' CB ' ' A' ' 67' ' ' ALA . 0.8 OUTLIER -70.84 -57.28 4.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 21' ' ' LEU . 66.6 t -48.86 -37.18 8.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.438 ' NE ' ' O ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -63.44 -76.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.473 ' O ' ' CB ' ' A' ' 31' ' ' THR . 1.6 p -45.43 -46.41 13.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 31' ' ' THR . 88.5 p -51.08 -48.03 61.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.651 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 85.0 m -62.47 -65.78 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.427 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.83 -25.64 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.473 ' CB ' ' O ' ' A' ' 27' ' ' THR . 1.8 m -71.64 -33.62 69.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.376 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.756 HG12 HD22 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -62.99 -29.75 47.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.756 HD22 HG12 ' A' ' 32' ' ' VAL . 2.4 mm? -70.61 -26.27 63.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.86 28.97 6.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -136.84 150.84 48.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.592 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -126.27 55.8 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.57 84.21 51.57 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -21.4 15.94 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -43.03 -32.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.484 ' C ' HG23 ' A' ' 41' ' ' VAL . . . -104.58 52.32 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.484 HG23 ' C ' ' A' ' 40' ' ' ALA . 91.3 t -156.31 140.27 8.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.438 ' O ' ' NE ' ' A' ' 26' ' ' ARG . 28.4 mtt180 -106.02 -174.08 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.33 -22.2 16.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.8 p -116.14 36.56 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.385 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.426 HG23 ' HD2' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -92.57 142.64 26.07 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.448 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.3 Cg_endo -75.02 129.54 12.41 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.58 ' CE2' HG21 ' A' ' 29' ' ' THR . 3.8 m-85 -68.99 -24.39 64.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -19.82 27.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -99.81 -21.47 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 31.6 mt -67.29 -26.16 66.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.404 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 103.65 65.19 0.7 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.448 1.092 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.651 ' CZ ' HG23 ' A' ' 29' ' ' THR . 3.5 m-85 -128.79 148.53 50.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -146.81 -71.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.277 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.4 m -142.74 -59.01 0.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.45 -39.43 87.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 52' ' ' PHE . . . -72.39 -38.73 68.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.58 -39.22 84.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -72.79 -46.38 53.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.47 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . 5.1 mtp180 -57.88 -30.83 66.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.567 HD23 HG21 ' A' ' 77' ' ' VAL . 26.8 tp -70.49 -49.92 43.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.22 -38.17 85.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 58' ' ' VAL . 17.7 m120 -64.98 -32.03 73.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tt -84.87 -39.15 18.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.494 HD21 ' HA ' ' A' ' 25' ' ' VAL . 8.8 mt -57.9 -18.19 21.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -65.45 -18.32 65.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.07 -15.39 41.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.607 ' CB ' HD13 ' A' ' 24' ' ' LEU . . . -106.39 2.69 26.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.431 HG22 HD21 ' A' ' 21' ' ' LEU . 67.2 p -140.55 -72.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.412 ' N ' ' OG1' ' A' ' 68' ' ' THR . . . 105.01 11.56 29.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.695 HD23 HD21 ' A' ' 94' ' ' LEU . 3.5 pp -113.13 -165.6 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.54 77.9 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.629 HD21 HD23 ' A' ' 90' ' ' LEU . 32.4 mt -50.94 159.93 0.89 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.464 ' HD2' HD12 ' A' ' 76' ' ' LEU . 18.3 Cg_endo -74.94 145.99 32.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.6 p -71.76 -22.58 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.01 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.5 p -90.49 0.9 57.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.328 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.568 ' CD1' HD22 ' A' ' 72' ' ' LEU . 7.7 tt -47.61 -49.75 26.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.707 ' O ' HG12 ' A' ' 77' ' ' VAL . 71.1 t -89.89 20.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.56 5.45 3.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.74 16.56 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.548 ' ND1' ' CG2' ' A' ' 86' ' ' VAL . 0.2 OUTLIER -127.08 134.3 25.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.411 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.4 Cg_endo -74.99 -52.26 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.472 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -133.63 -174.26 3.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.248 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.78 -43.16 66.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.66 -34.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.411 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -78.91 -45.78 19.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.563 HG13 HD21 ' A' ' 76' ' ' LEU . 40.6 t -49.67 -46.53 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.1 -55.51 14.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 89' ' ' PHE . . . -50.38 -65.73 2.8 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.6 OUTLIER -37.33 -50.23 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 111.022 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.796 ' C ' HD13 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -64.06 -54.88 27.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.575 ' N ' HD13 ' A' ' 90' ' ' LEU . 9.0 t0 -46.13 -50.06 15.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.52 -36.81 74.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.494 ' OE1' ' CD1' ' A' ' 70' ' ' LEU . 2.4 tt0 -69.66 -27.93 65.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.699 HD12 HD11 ' A' ' 90' ' ' LEU . 34.4 mt -90.21 -21.84 21.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.492 ' CG ' ' OD2' ' A' ' 91' ' ' ASP . 2.3 ttp180 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.33 -67.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -62.1 -41.32 98.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -52.27 46.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.2 m -70.1 -43.58 70.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.381 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.97 -23.67 66.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -82.27 -59.45 2.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.402 HD21 ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -53.44 -50.91 64.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.571 HG12 ' N ' ' A' ' 23' ' ' ARG . 2.6 t -41.4 -74.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.571 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -38.93 -41.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.626 HD21 ' CB ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -65.29 -55.29 19.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.45 ' N ' HD23 ' A' ' 24' ' ' LEU . 71.4 t -42.46 -64.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.642 HH21 ' HB ' ' A' ' 45' ' ' THR . 0.1 OUTLIER -44.1 -45.47 8.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.4 m -62.88 -51.76 65.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.633 ' O ' HG23 ' A' ' 32' ' ' VAL . 17.5 m -55.03 -39.55 69.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.958 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.544 HG23 HD22 ' A' ' 60' ' ' LEU . 2.2 m -60.82 -63.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.17 -38.45 52.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.5 m -57.26 -37.97 73.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 28' ' ' SER . 79.2 t -63.75 -27.12 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.725 HD13 ' O ' ' A' ' 50' ' ' LEU . 12.4 mt -103.01 33.12 3.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 40.4 45.9 3.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.565 1.166 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -135.82 124.78 24.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 109.636 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -114.72 49.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.88 75.56 75.89 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.51 20.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.448 1.762 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -71.95 -12.56 61.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.406 ' C ' HG23 ' A' ' 41' ' ' VAL . . . -112.46 28.37 8.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.406 HG23 ' C ' ' A' ' 40' ' ' ALA . 21.2 t -151.4 125.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.447 ' O ' ' NE ' ' A' ' 26' ' ' ARG . 1.0 OUTLIER -79.57 -176.03 5.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.11 -24.98 18.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 p -106.07 38.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.642 ' HB ' HH21 ' A' ' 26' ' ' ARG . 0.8 OUTLIER -89.34 144.07 31.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.419 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.467 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.1 Cg_endo -75.03 102.59 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.59 ' HA ' HD12 ' A' ' 50' ' ' LEU . 25.2 p90 -48.08 -35.54 11.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -53.56 -21.23 6.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -92.04 -22.42 19.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.725 ' O ' HD13 ' A' ' 33' ' ' LEU . 29.0 mt -65.51 -34.59 78.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.03 38.1 1.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.507 ' CE2' ' O ' ' A' ' 56' ' ' ALA . 2.5 m-85 -101.95 150.3 23.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -150.44 -77.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 58' ' ' VAL . 19.5 m -132.22 -64.12 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.47 -52.28 64.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.598 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -61.42 -37.36 83.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.455 ' HB1' ' HB ' ' A' ' 77' ' ' VAL . . . -69.21 -32.81 72.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.6 t -78.14 -28.24 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -36.51 70.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.544 HD22 HG23 ' A' ' 29' ' ' THR . 18.8 tp -65.49 -55.82 15.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 8.3 ttm180 -50.44 -46.45 56.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -60.68 -25.63 66.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.68 -37.47 16.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.421 ' HB2' HD13 ' A' ' 72' ' ' LEU . 3.4 mt -74.52 -3.78 32.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 69' ' ' GLY . 0.3 OUTLIER -68.28 -37.68 80.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.88 -6.96 57.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.626 ' CB ' HD21 ' A' ' 24' ' ' LEU . . . -87.62 -11.44 48.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.753 HG22 HD11 ' A' ' 94' ' ' LEU . 18.7 p -142.07 -50.43 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.401 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 122.38 -13.06 8.92 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.557 1.16 . . . . 0.0 110.956 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.465 HD23 ' HB ' ' A' ' 68' ' ' THR . 0.6 OUTLIER -98.78 -176.59 3.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.245 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.462 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -98.69 4.7 47.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.888 ' HG ' HD21 ' A' ' 90' ' ' LEU . 0.2 OUTLIER 54.05 167.26 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.552 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.0 142.89 28.39 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.2 p -64.45 -24.93 67.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 79' ' ' ASP . 58.1 p -90.85 2.97 55.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.395 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.822 HD13 ' CD2' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -40.47 -64.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.728 ' O ' HG12 ' A' ' 77' ' ' VAL . 74.2 t -87.45 25.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.1 OUTLIER -138.52 8.25 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.4 OUTLIER -152.15 20.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.658 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -127.82 131.75 23.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.6 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -39.72 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.44 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 0.1 OUTLIER -148.6 -174.01 4.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.461 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . . . -70.54 -44.24 67.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.675 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.9 OUTLIER -38.15 -61.34 0.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.022 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -53.11 -56.12 18.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.658 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 45.0 t -42.11 -39.2 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 84' ' ' SER . . . -53.41 -47.87 69.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -65.35 -58.31 9.74 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.552 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.8 OUTLIER -42.0 -32.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 110.964 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.888 HD21 ' HG ' ' A' ' 72' ' ' LEU . 6.0 mt -83.86 -54.23 5.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.492 ' OD2' ' CG ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -48.43 -49.34 35.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.36 -38.49 68.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.38 -26.02 62.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.753 HD11 HG22 ' A' ' 68' ' ' THR . 10.9 mt -86.43 -25.03 25.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.863 HH21 HH21 ' A' ' 17' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.03 -72.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 20' ' ' GLU . 5.8 tm-20 -51.29 -52.03 48.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.863 HH21 HH21 ' A' ' 14' ' ' ARG . 0.2 OUTLIER -48.61 -43.58 36.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.261 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.1 m -73.7 -38.32 64.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.5 -22.1 63.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' GLU . 3.5 tt0 -84.27 -45.92 12.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.447 ' O ' HG12 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -55.27 -57.61 11.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.568 ' CG2' ' HB2' ' A' ' 87' ' ' ALA . 2.9 t -57.04 -46.71 84.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -31.44 71.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.747 ' CD1' ' HB2' ' A' ' 67' ' ' ALA . 0.7 OUTLIER -77.57 -68.57 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.566 HG21 ' CG1' ' A' ' 86' ' ' VAL . 13.5 p -37.76 -54.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.682 HH22 HD11 ' A' ' 50' ' ' LEU . 4.3 tpt85 -54.99 -71.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.1 m -42.15 -40.61 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.407 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.926 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.2 t -62.89 -42.62 99.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.064 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.574 HG23 ' CE2' ' A' ' 52' ' ' PHE . 98.4 m -60.2 -69.5 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.372 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.424 ' HA ' HD23 ' A' ' 33' ' ' LEU . . . -49.49 -25.61 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 28' ' ' SER . 1.2 m -71.81 -33.35 68.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.926 HG23 ' O ' ' A' ' 28' ' ' SER . 11.3 t -70.62 -18.72 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.038 HD11 ' O ' ' A' ' 50' ' ' LEU . 4.4 mm? -74.27 -35.77 63.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.15 28.56 4.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -138.66 172.65 12.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.419 0.717 . . . . 0.0 109.602 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -140.6 77.73 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.63 85.71 2.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.406 ' C ' ' N ' ' A' ' 40' ' ' ALA . 18.2 Cg_endo -75.07 -19.57 17.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.44 1.758 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -48.13 -24.12 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 38' ' ' PRO . . . -101.23 47.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.525 HG11 ' CG ' ' A' ' 26' ' ' ARG . 74.0 t -136.98 146.14 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.68 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -118.67 -8.38 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 84.34 -50.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.474 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 19.5 p -89.65 40.36 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.393 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -95.3 145.68 29.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.384 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.496 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -74.96 101.52 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.936 ' HA ' HD12 ' A' ' 50' ' ' LEU . 9.6 p90 -47.16 -33.98 5.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.097 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -54.0 -23.52 13.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -89.64 -21.54 22.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.038 ' O ' HD11 ' A' ' 33' ' ' LEU . 17.7 mt -72.9 -4.79 34.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.35 60.79 3.64 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.574 ' CE2' HG23 ' A' ' 29' ' ' THR . 0.8 OUTLIER -115.51 129.08 56.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 0.801 . . . . 0.0 110.992 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 54' ' ' SER . 64.0 m-20 -133.75 174.17 10.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 53' ' ' ASP . 33.6 m -35.29 -35.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -69.42 -69.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.78 -41.26 70.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.644 ' HB1' ' CG1' ' A' ' 77' ' ' VAL . . . -59.92 -30.02 68.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.5 t -80.34 -50.38 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -60.24 -14.91 20.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.25 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.879 HD12 HG21 ' A' ' 32' ' ' VAL . 4.6 tp -86.87 -56.02 3.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.459 ' NH1' ' O ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -47.17 -42.16 19.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -67.86 -31.41 71.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.085 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.4 tt -81.67 -27.18 34.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -69.64 -28.38 65.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -57.38 -20.1 27.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.24 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.33 -20.57 23.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.747 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . . . -81.96 -29.44 32.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.827 HG22 HD11 ' A' ' 94' ' ' LEU . 1.1 p -116.27 -70.64 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.56 -0.96 10.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.457 HD11 ' HG2' ' A' ' 93' ' ' GLU . 3.4 pp -117.11 -174.47 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.1 103.49 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.652 HD11 ' HG ' ' A' ' 90' ' ' LEU . 29.9 mt -89.75 161.54 38.57 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.769 ' O ' HD23 ' A' ' 76' ' ' LEU . 18.3 Cg_endo -74.99 130.96 13.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.462 1.77 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.9 p -73.14 -10.83 60.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.023 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 79' ' ' ASP . 45.0 p -90.13 -7.37 53.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.406 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.769 HD23 ' O ' ' A' ' 73' ' ' PRO . 2.5 pp -57.19 -45.59 83.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.811 HG21 HD22 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -80.64 5.31 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -119.02 -13.71 9.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 75' ' ' THR . 13.8 t70 -114.66 -24.82 8.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.644 ' CE1' ' CG2' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -89.54 125.92 59.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.562 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -42.28 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.474 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -130.2 162.58 28.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -64.17 -40.11 95.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.01 -29.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -80.25 -50.86 9.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.644 ' CG2' ' CE1' ' A' ' 80' ' ' HIS . 79.5 t -42.54 -49.22 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.568 ' HB2' ' CG2' ' A' ' 22' ' ' VAL . . . -40.73 -57.0 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.24 -57.44 19.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.145 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.21 -33.52 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.652 ' HG ' HD11 ' A' ' 72' ' ' LEU . 9.4 mp -84.32 -50.51 7.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -52.85 -49.76 65.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.1 -27.56 69.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.565 ' OE1' HD23 ' A' ' 72' ' ' LEU . 2.9 tt0 -81.96 -23.92 35.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.827 HD11 HG22 ' A' ' 68' ' ' THR . 9.9 mt -87.98 -24.9 23.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.6 -70.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' GLU . 25.0 tp10 -43.24 -43.54 4.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.575 HH21 HD11 ' A' ' 21' ' ' LEU . 7.7 tpt180 -56.58 -55.41 34.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.402 ' OG1' ' CG ' ' A' ' 91' ' ' ASP . 18.7 m -55.76 -43.94 77.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.362 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.94 -16.92 61.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' GLU . 2.6 tt0 -85.55 -36.77 20.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.575 HD11 HH21 ' A' ' 17' ' ' ARG . 0.4 OUTLIER -75.72 -39.61 57.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.658 HG21 ' HA ' ' A' ' 84' ' ' SER . 0.3 OUTLIER -62.87 -43.81 99.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -42.81 76.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 tt -74.84 -39.45 61.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.504 HG11 ' CG1' ' A' ' 86' ' ' VAL . 3.4 t -62.48 -23.3 31.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.76 -47.11 15.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.1 m -68.82 -34.93 76.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.454 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.998 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -67.28 -53.83 26.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.018 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.6 m -48.75 -61.43 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.415 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.97 -36.94 68.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.8 m -65.39 -38.08 88.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.417 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.998 HG23 ' O ' ' A' ' 28' ' ' SER . 23.9 t -61.54 -41.83 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.043 HD11 HD13 ' A' ' 50' ' ' LEU . 14.6 mt -68.57 -22.41 64.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.17 42.37 3.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -139.42 125.98 20.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.63 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -102.29 64.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -153.86 93.85 2.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -22.46 14.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.777 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -17.52 62.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.19 30.34 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.3 p -171.23 151.76 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -116.1 177.45 4.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.01 -23.45 33.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 p -104.85 32.18 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.763 HG23 ' HD2' ' A' ' 46' ' ' PRO . 2.0 m -96.2 147.07 32.4 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.763 ' HD2' HG23 ' A' ' 45' ' ' THR . 18.2 Cg_endo -75.01 131.74 14.61 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.46 1.768 . . . . 0.0 110.956 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.636 ' CD1' ' N ' ' A' ' 48' ' ' LYS . 22.0 p90 -69.53 -47.35 64.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.636 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 9.2 tttt -57.91 -16.77 13.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.461 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . 5.3 tp10 -82.24 -38.17 24.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.339 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.043 HD13 HD11 ' A' ' 33' ' ' LEU . 4.6 pp -89.61 -11.65 42.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.624 ' O ' HD21 ' A' ' 33' ' ' LEU . . . 92.13 118.12 2.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.822 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -178.86 125.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 110.996 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 55' ' ' LEU . 15.0 m-20 -150.88 -177.01 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.634 ' O ' HG23 ' A' ' 58' ' ' VAL . 75.7 m -36.85 -32.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.049 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -71.05 -67.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.822 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -56.4 -41.78 76.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.49 ' HB2' ' HB ' ' A' ' 77' ' ' VAL . . . -61.72 -34.63 76.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 54' ' ' SER . 1.7 t -67.05 -52.21 46.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -28.71 66.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.535 ' HB2' HG21 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -77.44 -53.74 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.455 ' HD3' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -48.86 -35.62 15.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -58.97 -27.66 65.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.1 tt -90.26 -45.69 8.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.478 HD13 HD11 ' A' ' 90' ' ' LEU . 9.0 mt -48.81 -24.59 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -55.22 -27.78 48.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.8 -22.74 36.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.24 -26.24 30.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.669 HG21 HD11 ' A' ' 72' ' ' LEU . 8.1 p -123.89 -69.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.386 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.78 16.48 33.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.683 HD21 HD23 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -128.73 -177.47 4.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.93 94.71 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.669 HD11 HG21 ' A' ' 68' ' ' THR . 14.5 mt -81.93 160.99 62.22 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.778 ' O ' HD23 ' A' ' 76' ' ' LEU . 18.3 Cg_endo -74.95 124.14 8.43 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.483 1.781 . . . . 0.0 111.053 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.5 p -62.27 -13.43 28.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 78' ' ' PHE . 52.5 p -90.08 -9.38 48.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.778 HD23 ' O ' ' A' ' 73' ' ' PRO . 2.2 pp -45.56 -42.42 10.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.767 ' O ' HG12 ' A' ' 77' ' ' VAL . 78.1 t -89.58 39.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -153.61 -42.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.02 -11.95 48.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 1.025 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -97.39 111.98 59.86 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.598 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.454 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.02 -12.53 21.48 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.527 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 14.5 m-80 -163.47 160.58 23.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -51.99 -53.33 42.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.658 ' HA ' HG21 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -42.0 -27.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.009 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 82' ' ' ASN . . . -81.26 -47.14 13.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 1.025 HG23 ' CG ' ' A' ' 80' ' ' HIS . 1.0 OUTLIER -54.99 -52.08 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.59 ' HB2' HG23 ' A' ' 22' ' ' VAL . . . -42.7 -57.7 2.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.36 -59.51 8.27 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.04 -32.51 9.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.617 HD22 HD22 ' A' ' 72' ' ' LEU . 5.8 mt -80.19 -38.59 30.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.402 ' CG ' ' OG1' ' A' ' 18' ' ' THR . 4.8 t70 -65.85 -45.23 82.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.48 -36.0 81.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.67 -23.0 49.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.683 HD23 HD21 ' A' ' 70' ' ' LEU . 32.7 mt -82.71 -28.49 30.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.69 -68.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' GLU . 30.3 tt0 -51.06 -43.66 61.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.0 tpp85 -56.67 -54.79 42.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.649 ' O ' HG23 ' A' ' 22' ' ' VAL . 19.8 m -64.62 -45.98 84.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.16 -20.97 66.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' GLU . 2.9 tt0 -83.61 -58.17 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.354 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -55.2 -38.45 68.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 18' ' ' THR . 8.0 t -52.87 -65.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mtm105 -45.17 -42.54 9.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tt -67.82 -41.23 83.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 21' ' ' LEU . 37.9 t -63.39 -55.99 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.405 ' HD3' ' N ' ' A' ' 43' ' ' ALA . 23.9 mtm180 -45.16 -53.77 7.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.9 m -68.87 -49.36 58.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.76 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.8 m -48.89 -54.28 16.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.05 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.788 HG21 ' CZ ' ' A' ' 47' ' ' PHE . 2.5 m -56.6 -59.0 5.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.74 -37.95 60.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.9 m -62.1 -40.75 96.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.38 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 28' ' ' SER . 62.7 t -55.51 -20.69 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.696 ' CD2' HD11 ' A' ' 50' ' ' LEU . 4.3 mm? -99.16 29.93 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.56 49.21 11.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -136.63 134.67 37.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 109.614 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.61 73.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.71 120.51 0.31 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.603 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.4 Cg_endo -74.98 -15.32 20.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.525 1.803 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -50.39 -22.8 2.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.64 34.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 38' ' ' PRO . 4.7 p -174.58 141.91 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.649 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -128.81 20.81 5.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 81.04 -52.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.6 p -93.94 42.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.19 144.94 29.61 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 102.5 1.6 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.498 1.789 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.788 ' CZ ' HG21 ' A' ' 29' ' ' THR . 3.2 m-85 -46.85 -48.83 20.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -51.98 7.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.59 -34.08 77.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.802 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -64.33 -30.4 71.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.406 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 98.45 105.39 2.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.541 ' CD1' HD21 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -156.95 136.35 12.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.983 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.772 ' H ' ' HB3' ' A' ' 56' ' ' ALA . 4.8 m-20 -134.79 170.17 16.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 53' ' ' ASP . 3.3 m -38.04 -30.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.036 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -78.6 -56.0 4.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.772 ' HB3' ' H ' ' A' ' 53' ' ' ASP . . . -62.17 -44.96 95.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.445 ' HB2' HG11 ' A' ' 77' ' ' VAL . . . -57.95 -35.86 71.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.401 ' O ' ' CG ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -68.83 -51.75 41.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.675 ' HB3' HG13 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -48.24 -43.25 32.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.673 HD22 HG23 ' A' ' 29' ' ' THR . 56.5 tp -63.14 -57.29 11.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.403 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -49.3 -38.72 28.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.482 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 2.7 m120 -68.27 -47.98 66.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -59.33 5.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 4.0 mt -52.21 -21.57 3.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 62' ' ' ASN . 8.3 t-20 -55.24 -28.6 54.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.44 11.6 21.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.04 3.67 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 1.075 HG21 HD21 ' A' ' 72' ' ' LEU . 32.4 p -133.88 -62.8 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.19 -5.06 10.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.473 HD11 ' OE2' ' A' ' 93' ' ' GLU . 0.4 OUTLIER -118.88 -170.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.747 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -92.45 4.47 53.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 1.075 HD21 HG21 ' A' ' 68' ' ' THR . 85.1 mt 56.32 158.16 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.94 12.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.1 p -59.22 -17.13 25.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 79' ' ' ASP . 67.8 p -90.43 -5.79 55.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.722 ' CD2' HG23 ' A' ' 77' ' ' VAL . 7.3 tt -45.89 -58.13 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.736 ' O ' HG12 ' A' ' 77' ' ' VAL . 44.9 t -90.33 23.28 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.17 7.97 2.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -151.95 20.35 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.657 ' CE1' ' CE2' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -128.9 129.2 23.44 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.608 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.472 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -75.01 -46.75 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.482 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 31.2 m-20 -136.15 -174.67 3.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.462 ' HB1' HG12 ' A' ' 25' ' ' VAL . . . -70.67 -45.17 65.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.57 -26.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.472 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -84.9 -43.81 13.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.485 HG23 ' CG ' ' A' ' 80' ' ' HIS . 20.5 t -50.1 -49.96 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -48.78 -52.44 23.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.26 -58.27 11.28 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -37.56 44.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.053 HD22 HD22 ' A' ' 72' ' ' LEU . 27.9 mt -76.39 -37.08 57.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -68.1 -46.24 71.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.17 77.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.473 ' OE2' HD11 ' A' ' 70' ' ' LEU . 1.6 tt0 -78.3 -21.89 48.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.405 HD21 ' HA ' ' A' ' 68' ' ' THR . 15.8 mt -83.06 -28.87 29.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.1 -45.26 3.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 4.0 mm-40 -75.75 -38.53 58.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.514 ' NH2' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -61.57 -34.12 75.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.4 m -85.17 -43.67 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.9 -32.55 73.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 6.3 tt0 -68.55 -54.41 16.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.9 ' HA ' HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -58.73 -30.09 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.613 HG12 ' N ' ' A' ' 23' ' ' ARG . 2.7 t -59.21 -77.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.613 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -45.34 -26.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.941 HD21 ' HB1' ' A' ' 67' ' ' ALA . 0.1 OUTLIER -75.18 -54.45 7.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 21' ' ' LEU . 12.8 t -50.61 -29.15 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -65.14 -47.06 78.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.5 m -69.38 -48.3 61.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.73 ' O ' HG23 ' A' ' 32' ' ' VAL . 46.7 p -50.7 -46.0 58.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.019 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.554 HG22 HD13 ' A' ' 50' ' ' LEU . 27.1 m -63.47 -61.81 2.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.445 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.939 ' HB2' HG21 ' A' ' 41' ' ' VAL . . . -48.72 -32.67 8.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.9 m -67.2 -34.43 77.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.415 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.822 HG13 ' HB3' ' A' ' 59' ' ' ARG . 60.2 t -64.45 -34.18 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.358 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.715 HD21 ' HB3' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -78.15 -10.92 59.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.24 23.93 42.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' ASP . 22.9 m170 -87.43 -6.96 58.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.64 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' HIS . 11.4 m-20 38.96 76.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -172.64 83.75 0.43 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -19.85 17.4 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 110.954 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -74.13 -15.31 61.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.6 17.7 17.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.939 HG21 ' HB2' ' A' ' 30' ' ' ALA . 87.4 t -123.59 157.86 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.52 -177.76 4.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.441 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . . . -98.05 -26.3 14.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.8 p -115.91 45.31 1.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 110.398 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.786 HG23 ' HD2' ' A' ' 46' ' ' PRO . 2.0 m -110.8 147.16 35.91 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 0.0 110.401 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.786 ' HD2' HG23 ' A' ' 45' ' ' THR . 18.3 Cg_endo -74.99 98.2 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.458 1.767 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.507 ' HA ' HD12 ' A' ' 50' ' ' LEU . 5.2 p90 -48.4 -35.16 12.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.162 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.444 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.5 ttmt -49.33 -34.12 14.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -71.16 -33.35 69.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.715 ' HB3' HD21 ' A' ' 33' ' ' LEU . 53.4 mt -53.89 -36.13 62.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.352 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.04 58.34 0.42 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.429 1.081 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.439 ' HE2' HD22 ' A' ' 60' ' ' LEU . 2.4 m-30 -112.14 153.72 26.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -158.23 -76.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 58' ' ' VAL . 14.8 m -132.8 -61.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -55.79 29.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.535 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -65.06 -27.63 68.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.626 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -75.52 -28.58 59.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' SER . 3.6 t -89.21 -26.37 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.822 ' HB3' HG13 ' A' ' 32' ' ' VAL . 5.2 mtt180 -64.09 -42.59 96.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.638 ' HB2' HG21 ' A' ' 32' ' ' VAL . 48.5 tp -66.65 -59.08 3.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 5.9 tmm_? -50.09 -25.75 3.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -77.24 -45.61 25.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.522 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -71.79 -46.71 57.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.664 HD21 ' OG ' ' A' ' 28' ' ' SER . 8.5 mt -57.33 -21.29 34.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -54.81 -18.92 5.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.46 -18.51 21.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.941 ' HB1' HD21 ' A' ' 24' ' ' LEU . . . -94.94 7.2 46.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.504 ' HA ' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -143.02 -71.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.423 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.89 -14.33 5.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.777 ' N ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -108.46 -170.99 1.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 0.754 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 14.0 mtt180 -98.25 3.41 48.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.847 HD21 ' HG ' ' A' ' 90' ' ' LEU . 12.5 mt 53.83 163.42 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.87 15.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.9 p -54.85 -23.16 17.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 78' ' ' PHE . 51.9 m -81.13 -11.77 59.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.418 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.758 ' CD1' HD22 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -39.85 -55.32 2.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.297 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.77 ' O ' HG12 ' A' ' 77' ' ' VAL . 54.2 t -84.7 44.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 75' ' ' THR . 2.4 t80 -154.21 -42.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.438 ' HB2' HG22 ' A' ' 75' ' ' THR . 1.3 t70 -94.03 -11.05 31.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.703 ' CG ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -98.98 109.67 54.81 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.575 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -44.37 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.474 1.776 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.572 ' O ' HG23 ' A' ' 86' ' ' VAL . 9.2 m-80 -133.0 -177.11 4.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 43' ' ' ALA . . . -70.04 -46.59 64.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.93 -38.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.66 -43.89 29.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.703 HG22 ' CG ' ' A' ' 80' ' ' HIS . 79.1 t -51.67 -44.97 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.595 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -46.63 -57.55 4.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -55.78 -65.3 3.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER -37.67 -38.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.989 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.847 ' HG ' HD21 ' A' ' 72' ' ' LEU . 6.3 mp -75.68 -50.37 15.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 88' ' ' GLY . 6.2 t0 -52.17 -43.71 64.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.38 83.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.99 -28.34 66.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.514 HD22 ' NH2' ' A' ' 17' ' ' ARG . 2.3 mt -90.15 -21.34 22.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.84 23.85 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -129.77 -43.92 1.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.615 ' NE ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -74.08 -33.53 63.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.408 ' OG1' ' OD1' ' A' ' 91' ' ' ASP . 26.3 m -86.88 -51.66 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.47 -17.23 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 2.0 tt0 -86.28 -63.39 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.808 HD21 ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -56.31 -34.85 66.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.541 HG22 ' HB2' ' A' ' 87' ' ' ALA . 18.2 t -64.93 -60.66 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -53.44 -19.83 4.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.344 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.607 HD21 ' CB ' ' A' ' 67' ' ' ALA . 2.8 tp -90.04 -53.73 4.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.85 HG21 ' CG1' ' A' ' 86' ' ' VAL . 0.3 OUTLIER -52.78 -38.1 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -65.59 -45.07 84.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.475 ' O ' ' CB ' ' A' ' 31' ' ' THR . 92.5 m -69.86 -35.06 74.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.771 ' O ' HG12 ' A' ' 32' ' ' VAL . 66.8 m -68.05 -49.67 59.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.842 ' O ' HD12 ' A' ' 33' ' ' LEU . 23.6 m -61.19 -35.48 77.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.417 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 35' ' ' HIS . . . -80.61 -36.49 32.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.475 ' CB ' ' O ' ' A' ' 27' ' ' THR . 3.2 m -68.16 -53.93 21.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.368 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.771 HG12 ' O ' ' A' ' 28' ' ' SER . 7.7 p -48.32 -36.63 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.842 HD12 ' O ' ' A' ' 29' ' ' THR . 0.7 OUTLIER -90.92 34.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' THR . . . 43.18 55.99 4.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.505 ' CB ' ' O ' ' A' ' 30' ' ' ALA . 0.9 OUTLIER -133.21 128.23 35.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 0.791 . . . . 0.0 109.566 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -122.34 26.17 8.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.26 78.88 44.27 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.427 ' HA ' ' HB ' ' A' ' 41' ' ' VAL . 18.2 Cg_endo -74.95 -18.77 18.59 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.08 -29.69 67.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.35 14.78 25.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.427 ' HB ' ' HA ' ' A' ' 38' ' ' PRO . 18.3 t -117.79 149.49 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -125.08 169.77 11.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.403 ' O ' ' OG ' ' A' ' 84' ' ' SER . . . -77.3 -34.28 55.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.472 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 10.9 p -99.71 36.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.61 151.05 49.84 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.438 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 124.94 8.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 80' ' ' HIS . 18.1 p90 -78.59 -44.5 23.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.591 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 26.3 tttt -60.51 -16.51 37.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.429 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -75.51 -32.91 60.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.577 HD13 HG22 ' A' ' 29' ' ' THR . 1.6 mt -69.6 -28.04 65.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.96 42.71 0.7 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.767 ' CZ ' HD13 ' A' ' 60' ' ' LEU . 1.6 m-85 -106.0 144.5 32.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -160.73 -78.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.524 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -116.85 -80.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.031 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.84 -66.1 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.441 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -55.77 -33.92 64.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.362 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 54' ' ' SER . . . -64.79 -32.25 73.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 54' ' ' SER . 0.4 OUTLIER -81.38 -39.08 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -57.21 -37.1 71.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.767 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 6.2 tp -64.07 -65.55 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.429 ' CD ' ' HB2' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -39.94 -41.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 58' ' ' VAL . 24.2 m120 -58.69 -48.43 81.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 60' ' ' LEU . 2.0 tt -73.98 -46.77 41.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.785 HD12 HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -46.62 -33.39 4.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' GLY . 29.8 m120 -52.12 -32.26 34.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.09 -23.88 47.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.607 ' CB ' HD21 ' A' ' 24' ' ' LEU . . . -80.7 -19.33 45.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.859 HG21 HD12 ' A' ' 90' ' ' LEU . 34.7 p -143.01 -68.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 110.4 7.59 26.11 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.834 HD22 ' HG2' ' A' ' 93' ' ' GLU . 4.6 pp -96.24 178.44 5.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.767 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -87.67 79.71 8.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 1.044 HD23 HD13 ' A' ' 76' ' ' LEU . 1.5 mp -50.77 152.69 3.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.577 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -74.99 147.28 33.75 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -72.85 -20.94 61.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 78' ' ' PHE . 50.0 p -86.38 -7.42 58.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.044 HD13 HD23 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -40.0 -58.8 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.959 HG23 HD23 ' A' ' 76' ' ' LEU . 70.0 t -83.38 45.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 75' ' ' THR . 2.0 t80 -153.75 -41.99 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.85 -16.0 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.885 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -93.32 114.58 63.23 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.62 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.2 2.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.472 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -141.12 177.58 7.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.788 ' HB1' ' CG1' ' A' ' 25' ' ' VAL . . . -59.99 -43.17 95.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.649 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -38.35 -66.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -47.36 -54.96 9.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.885 HG23 ' CG ' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -45.75 -38.78 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 84' ' ' SER . . . -59.21 -43.94 92.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -64.38 -63.34 4.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.577 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -39.44 -35.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 0.721 . . . . 0.0 110.978 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.859 HD12 HG21 ' A' ' 68' ' ' THR . 4.6 mm? -81.77 -52.47 7.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.408 ' OD1' ' OG1' ' A' ' 18' ' ' THR . 1.7 t70 -52.94 -49.25 66.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.57 -38.04 71.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.354 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.834 ' HG2' HD22 ' A' ' 70' ' ' LEU . 0.7 OUTLIER -79.49 -20.9 46.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.615 HD13 ' NE ' ' A' ' 17' ' ' ARG . 40.8 mt -80.61 -30.27 36.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.534 1.146 . . . . 0.0 111.025 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.03 -64.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 20' ' ' GLU . 49.1 mm-40 -42.81 -48.99 5.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -42.55 97.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.472 ' O ' HG23 ' A' ' 22' ' ' VAL . 16.5 m -64.43 -42.25 96.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.91 -27.64 54.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.5 tt0 -70.43 -49.32 50.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.732 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -65.41 -43.7 89.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 18' ' ' THR . 2.7 t -50.53 -60.89 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -38.94 44.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.402 ' C ' ' N ' ' A' ' 26' ' ' ARG . 7.9 tt -68.25 -56.68 7.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 21' ' ' LEU . 67.4 t -45.49 -28.2 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.452 ' NH2' ' HA ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -70.43 -74.53 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.6 p -49.05 -58.2 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.882 ' O ' HG23 ' A' ' 32' ' ' VAL . 37.3 p -43.7 -52.21 6.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.658 HG23 ' CE2' ' A' ' 52' ' ' PHE . 3.3 m -53.61 -70.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.358 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.33 -38.75 9.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 28' ' ' SER . 2.1 m -61.31 -38.61 87.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.364 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 28' ' ' SER . 93.3 t -59.81 -38.38 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 50' ' ' LEU . 21.4 mt -66.47 -23.1 66.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.72 29.97 7.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -124.37 171.65 9.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 109.568 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -142.2 69.52 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -163.22 99.7 1.01 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -13.93 21.35 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.547 1.814 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -54.2 -24.21 17.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.472 ' C ' HG23 ' A' ' 41' ' ' VAL . . . -91.9 38.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.621 HG12 ' H ' ' A' ' 43' ' ' ALA . 93.7 t -155.61 135.98 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.545 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -118.92 26.74 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.621 ' H ' HG12 ' A' ' 41' ' ' VAL . . . 73.93 -57.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.49 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 1.4 m -96.08 42.17 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.94 159.31 54.75 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 106.4 2.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.494 1.786 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.7 ' HA ' HD12 ' A' ' 50' ' ' LEU . 7.3 p90 -56.9 -43.16 81.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.568 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 14.4 tttp -49.98 -36.63 28.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.32 -35.53 54.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.7 HD12 ' HA ' ' A' ' 47' ' ' PHE . 37.0 mt -52.74 -27.07 16.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.8 35.34 3.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.129 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.921 ' CE2' HD22 ' A' ' 60' ' ' LEU . 3.8 m-30 -111.42 139.15 47.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -157.25 -56.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 57' ' ' ALA . 73.2 m -142.99 -75.75 0.26 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.14 -55.63 3.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.837 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -59.1 -38.7 80.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.526 ' HB2' HG11 ' A' ' 77' ' ' VAL . . . -66.1 -29.68 70.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -76.76 -41.14 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.537 ' HB3' HG13 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -75.96 -31.81 59.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.921 HD22 ' CE2' ' A' ' 52' ' ' PHE . 5.6 tp -75.6 -28.08 58.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.936 ' NH2' HD13 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -74.07 -56.42 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -47.73 -27.97 2.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.345 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.2 OUTLIER -90.8 -60.68 1.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 68' ' ' THR . 8.7 mt -45.88 -30.68 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -60.13 -41.36 92.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -77.08 -2.86 36.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.728 ' O ' HD21 ' A' ' 21' ' ' LEU . . . -113.01 -4.35 13.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.977 HG21 ' CD1' ' A' ' 72' ' ' LEU . 20.0 p -118.35 -59.24 1.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.382 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.84 5.24 51.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.447 ' CD2' ' C ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -131.73 -169.36 2.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 0.758 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -112.2 79.06 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.977 ' CD1' HG21 ' A' ' 68' ' ' THR . 0.3 OUTLIER -50.03 166.85 0.26 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.624 ' O ' HD23 ' A' ' 76' ' ' LEU . 18.1 Cg_endo -75.04 125.69 9.46 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 97.7 p -53.89 -20.62 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.8 p -87.54 -5.5 58.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.889 HD21 ' NH1' ' A' ' 61' ' ' ARG . 2.3 pp -47.78 -42.98 27.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.755 ' O ' HG12 ' A' ' 77' ' ' VAL . 78.9 t -83.81 37.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -151.17 -40.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.4 -10.56 37.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.767 ' ND1' HG23 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -90.61 121.58 68.12 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.585 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -22.67 14.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.768 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.49 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -161.83 167.98 23.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.676 ' HB1' HG12 ' A' ' 25' ' ' VAL . . . -56.58 -48.31 77.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.58 -27.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.454 ' N ' ' C ' ' A' ' 83' ' ' ALA . . . -79.09 -53.1 7.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.767 HG23 ' ND1' ' A' ' 80' ' ' HIS . 27.4 t -42.55 -51.53 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.625 ' HA ' HD21 ' A' ' 90' ' ' LEU . . . -57.35 -40.33 77.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -57.56 -51.11 59.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.538 ' CE2' ' HG3' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -55.88 -58.45 7.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 111.001 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.709 ' HB3' HD11 ' A' ' 72' ' ' LEU . 1.4 pp -54.58 -48.52 72.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.456 ' N ' HD12 ' A' ' 90' ' ' LEU . 19.7 t0 -42.4 -56.6 2.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.6 -38.23 59.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.2 mt-10 -73.06 -23.96 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.786 HD21 ' O ' ' A' ' 68' ' ' THR . 51.4 mt -89.5 -24.1 21.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.145 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.78 -58.55 6.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -61.39 -51.84 67.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -51.4 -55.6 17.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 m -62.09 -43.0 99.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.364 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.24 -19.25 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLU . 3.0 tt0 -89.13 -46.53 8.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.578 HD11 HG23 ' A' ' 68' ' ' THR . 0.8 OUTLIER -62.33 -39.81 94.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.442 ' C ' ' N ' ' A' ' 24' ' ' LEU . 25.5 t -65.84 -70.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -38.61 -30.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -72.78 -58.15 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.971 HG23 HD21 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -57.03 -28.52 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.529 ' NH1' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -67.38 -67.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.502 HG22 ' OD1' ' A' ' 36' ' ' ASP . 1.2 p -55.4 -40.89 71.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 32' ' ' VAL . 56.6 m -64.74 -40.17 94.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.45 ' HA ' HD13 ' A' ' 60' ' ' LEU . 1.9 m -61.67 -71.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.455 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.794 ' HA ' HD23 ' A' ' 33' ' ' LEU . . . -48.04 -32.3 6.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 27' ' ' THR . 1.3 m -60.63 -32.41 71.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 28' ' ' SER . 54.4 t -68.43 -12.86 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.032 HD21 ' CD1' ' A' ' 50' ' ' LEU . 1.9 mm? -100.9 -17.75 16.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.7 -39.68 2.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -86.45 149.88 24.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.607 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.502 ' OD1' HG22 ' A' ' 27' ' ' THR . 61.1 t0 -109.01 -30.18 8.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -49.17 106.24 0.6 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -25.36 11.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.31 -30.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.3 49.71 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.087 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -178.04 157.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.437 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -124.03 165.83 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.87 -35.95 62.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.475 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 2.1 m -101.35 36.67 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.459 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -90.94 146.73 34.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.387 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 45' ' ' THR . 18.2 Cg_endo -75.0 111.59 3.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.967 ' HA ' HD23 ' A' ' 50' ' ' LEU . 31.8 p90 -56.81 -37.59 71.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.505 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -57.36 -19.56 23.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -94.87 -33.61 12.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.032 ' CD1' HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -64.23 -28.05 69.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.51 44.65 0.89 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.772 ' CE1' HD11 ' A' ' 50' ' ' LEU . 2.3 m-30 -118.32 140.73 49.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 0.747 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -159.99 -78.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 58' ' ' VAL . 50.4 m -123.03 -73.72 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -44.32 -56.56 4.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 52' ' ' PHE . . . -63.11 -34.32 77.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.49 -29.49 69.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.3 t -76.9 -50.96 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.72 -35.15 65.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.618 HD22 ' HE2' ' A' ' 52' ' ' PHE . 10.1 tp -73.14 -53.36 11.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -47.04 -30.34 2.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -76.14 -36.67 58.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -78.95 -52.88 7.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.971 HD21 HG23 ' A' ' 25' ' ' VAL . 4.0 mt -50.91 -37.4 43.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.514 ' N ' ' NH2' ' A' ' 61' ' ' ARG . 1.4 m-20 -57.73 -20.04 31.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.69 -19.13 21.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.439 ' CB ' ' HG ' ' A' ' 24' ' ' LEU . . . -68.0 -24.94 65.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 1.055 HG21 HD11 ' A' ' 90' ' ' LEU . 1.9 p -127.76 -42.89 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.398 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.07 8.14 48.38 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.486 ' C ' HD12 ' A' ' 70' ' ' LEU . 1.4 pp -112.29 174.56 5.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -94.32 104.64 16.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 1.073 HD11 HD13 ' A' ' 90' ' ' LEU . 11.3 mt -85.29 166.7 29.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 72' ' ' LEU . 18.3 Cg_endo -74.98 146.59 32.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.6 p -70.36 -21.99 62.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 78' ' ' PHE . 80.8 p -77.07 -12.53 59.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.694 HD21 ' CG2' ' A' ' 86' ' ' VAL . 6.9 tt -39.85 -50.48 2.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.732 ' O ' HG12 ' A' ' 77' ' ' VAL . 73.1 t -86.25 43.16 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.509 ' N ' ' O ' ' A' ' 75' ' ' THR . 6.9 t80 -147.6 -44.5 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -90.52 -10.87 41.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -98.2 112.64 62.56 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.576 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.442 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -74.98 -31.35 6.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.475 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.5 OUTLIER -148.84 165.73 30.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 109.352 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.529 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . . . -53.43 -51.89 61.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -38.62 -32.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.442 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -86.66 -46.83 9.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.743 ' CG1' HG21 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -55.81 -42.58 70.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.418 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -49.95 -49.58 49.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -60.71 -67.77 1.98 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.7 OUTLIER -36.21 -33.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 111.03 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.073 HD13 HD11 ' A' ' 72' ' ' LEU . 2.1 tp -85.13 -50.92 7.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.841 ' HA ' HD23 ' A' ' 94' ' ' LEU . 4.4 t0 -58.83 -23.03 59.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -84.69 -32.48 23.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.32 -20.69 27.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.841 HD23 ' HA ' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -90.85 -27.14 19.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.363 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 18' ' ' THR . 3.7 ttp180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 18' ' ' THR . . . -55.76 -76.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.99 -43.31 19.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.609 ' O ' HD23 ' A' ' 21' ' ' LEU . 9.7 tpp85 -62.61 -29.78 70.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 15' ' ' ALA . 19.3 m -81.65 -38.84 25.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.416 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.92 -39.7 61.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 24' ' ' LEU . 6.4 pt-20 -64.21 -44.82 90.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.718 HD12 HD12 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -56.1 -41.91 75.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.542 HG22 ' HB2' ' A' ' 87' ' ' ALA . 42.9 t -67.61 -74.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 ptt85 -40.72 -35.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.506 HD23 ' C ' ' A' ' 24' ' ' LEU . 7.0 tt -75.28 -52.38 11.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 21' ' ' LEU . 3.0 t -52.69 -39.79 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.469 ' CZ ' HG13 ' A' ' 41' ' ' VAL . 1.4 mtp-105 -59.16 -76.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' ARG . 40.5 p -35.69 -65.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' THR . 5.9 t -37.48 -65.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.983 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.1 m -41.79 -66.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.448 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.84 -29.3 18.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -71.5 -36.66 71.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.394 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.78 HG21 ' HB2' ' A' ' 60' ' ' LEU . 85.4 t -60.59 -32.11 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 50' ' ' LEU . 3.1 mm? -76.72 -4.11 41.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.16 18.71 49.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 36' ' ' ASP . 6.2 m-70 -91.94 -11.33 36.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.572 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 35' ' ' HIS . 3.6 m-20 38.22 53.13 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.01 111.49 2.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.973 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.2 Cg_endo -75.01 -17.19 19.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' PRO . 2.8 mttt -39.66 -29.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' PRO . . . -91.85 50.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.973 HG12 ' O ' ' A' ' 38' ' ' PRO . 3.3 p -172.22 147.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.696 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -154.06 22.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 83.78 -49.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.445 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 2.3 p -100.2 28.33 5.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.341 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.784 HG23 ' HD2' ' A' ' 46' ' ' PRO . 1.9 m -92.31 147.17 34.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.362 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.784 ' HD2' HG23 ' A' ' 45' ' ' THR . 18.4 Cg_endo -74.93 121.94 6.92 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.602 ' CD1' ' N ' ' A' ' 48' ' ' LYS . 21.5 p90 -72.94 -45.96 55.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.602 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -53.08 -22.57 6.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.23 -38.15 63.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 46' ' ' PRO . 3.5 mp -59.96 -31.55 69.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.49 55.44 0.36 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.58 ' HE2' HD22 ' A' ' 60' ' ' LEU . 1.4 m-30 -116.72 142.05 47.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 0.789 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.98 -75.3 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 58' ' ' VAL . 68.9 m -130.26 -64.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.042 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -55.66 23.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.522 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -70.83 -23.25 62.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.48 -29.88 59.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 54' ' ' SER . 17.2 t -90.08 -27.08 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.545 ' HB3' HG13 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -65.09 -28.73 69.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.258 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.78 ' HB2' HG21 ' A' ' 32' ' ' VAL . 1.5 tp -89.46 -35.88 15.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.505 ' C ' ' CD ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -68.84 -29.53 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.293 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.439 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 1.1 m120 -80.7 -29.14 36.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 tt -84.04 -39.08 20.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 64' ' ' LEU . 10.0 mt -65.8 -13.2 59.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -58.76 -20.58 50.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.21 4.95 50.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -113.06 -13.02 13.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 1.037 HG21 HD21 ' A' ' 72' ' ' LEU . 6.8 p -123.8 -57.93 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 110.405 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 124.85 -14.68 7.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.88 -169.28 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 72' ' ' LEU . 1.6 ttt180 -90.16 4.35 50.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 1.037 HD21 HG21 ' A' ' 68' ' ' THR . 7.9 mt 54.5 163.84 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.563 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -75.0 144.61 30.43 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.781 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.4 p -75.55 -19.49 59.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.029 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 79' ' ' ASP . 10.9 p -89.8 -1.53 58.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.42 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.521 ' CD1' HD13 ' A' ' 72' ' ' LEU . 7.7 tt -47.54 -53.4 14.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.403 HG12 ' CE1' ' A' ' 47' ' ' PHE . 6.3 t -85.73 19.02 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -137.64 9.37 2.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.7 OUTLIER -137.42 -37.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.915 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -88.08 113.3 54.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.622 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -32.13 5.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 44' ' ' THR . 88.8 m-20 -141.0 145.22 35.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -39.29 -47.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.4 OUTLIER -37.82 -37.14 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.66 -50.35 12.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.915 HG23 ' CG ' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -48.01 -49.94 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.542 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -45.29 -57.16 4.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.51 -56.18 16.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.563 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 1.3 t80 -52.47 -33.55 45.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.718 HD12 HD12 ' A' ' 21' ' ' LEU . 4.0 mt -80.47 -39.9 27.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.2 -47.53 79.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.51 -31.03 69.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.406 ' CB ' ' O ' ' A' ' 89' ' ' PHE . 1.5 tt0 -77.32 -24.62 50.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.777 HD21 ' HA ' ' A' ' 68' ' ' THR . 10.0 mt -89.86 -23.87 21.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.58 -61.21 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.25 -56.19 3.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.423 HH21 ' HB2' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.26 -53.43 58.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -54.31 -42.78 70.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.1 -18.22 60.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.09 -43.29 18.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.09 -48.24 82.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.506 HG22 ' HB2' ' A' ' 87' ' ' ALA . 24.5 t -59.75 -62.29 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -39.73 -43.78 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.449 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -65.59 -62.46 1.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.828 HG22 HD21 ' A' ' 64' ' ' LEU . 47.9 t -42.15 -43.67 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -53.91 -63.95 0.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.443 ' O ' ' CB ' ' A' ' 31' ' ' THR . 2.1 p -62.47 -49.59 74.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -52.93 -45.46 67.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.597 HG22 HD13 ' A' ' 50' ' ' LEU . 18.0 m -61.37 -67.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.87 -36.98 40.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 27' ' ' THR . 1.7 m -53.3 -34.94 59.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 28' ' ' SER . 78.0 t -66.56 -12.49 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.799 HD11 ' HB2' ' A' ' 50' ' ' LEU . 13.3 mt -103.33 16.54 26.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.74 46.13 24.64 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -138.81 121.99 16.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 109.593 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.48 67.73 7.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -150.74 97.89 3.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -19.1 18.14 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.543 1.812 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.07 -2.81 46.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.33 -16.25 33.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.4 t -124.39 138.87 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -97.6 178.1 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.07 -28.15 21.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.452 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -101.91 8.74 41.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.817 HG23 ' H ' ' A' ' 47' ' ' PHE . 1.7 t -45.78 148.4 1.36 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.531 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.02 5.05 4.22 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.801 . . . . 0.0 111.039 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.817 ' H ' HG23 ' A' ' 45' ' ' THR . 0.3 OUTLIER 65.61 -56.26 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.592 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 1.8 mmtt -58.61 -15.45 11.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.493 ' CG ' ' HG2' ' A' ' 46' ' ' PRO . 2.9 mm-40 -73.96 -32.58 63.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.799 ' HB2' HD11 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -89.33 25.02 2.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 36.77 88.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.102 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.747 ' HE2' HD22 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -128.38 125.73 39.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 0.758 . . . . 0.0 110.992 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' LEU . 8.1 p30 -134.18 177.71 7.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.471 ' O ' HG23 ' A' ' 58' ' ' VAL . 58.3 m -38.54 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -73.28 -67.35 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.579 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -56.77 -40.31 75.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.927 ' HB2' HG11 ' A' ' 77' ' ' VAL . . . -61.34 -32.39 72.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 54' ' ' SER . 2.2 t -77.93 -40.17 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -69.95 -22.89 63.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.271 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.747 HD22 ' HE2' ' A' ' 52' ' ' PHE . 52.6 tp -71.25 -69.38 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -36.76 -54.9 0.9 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -45.21 -52.72 9.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.417 ' C ' ' N ' ' A' ' 65' ' ' ASN . 0.2 OUTLIER -69.37 -48.07 62.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.828 HD21 HG22 ' A' ' 25' ' ' VAL . 3.2 mt -47.63 -24.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 63' ' ' LEU . 2.6 t-20 -56.81 -25.52 55.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.25 -17.69 48.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.449 ' HB2' ' HG ' ' A' ' 24' ' ' LEU . . . -87.22 -26.18 23.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.487 HG21 HD21 ' A' ' 72' ' ' LEU . 39.0 p -120.67 -66.69 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.46 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 104.73 10.45 32.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.4 pp -124.39 -179.71 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 0.0 109.301 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -79.83 87.17 5.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.681 HD21 ' HG ' ' A' ' 90' ' ' LEU . 22.0 mt -65.88 161.58 52.98 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.894 ' O ' HD22 ' A' ' 76' ' ' LEU . 18.1 Cg_endo -75.09 145.89 31.68 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.6 p -81.81 -8.02 59.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 78' ' ' PHE . 46.8 p -89.58 -13.83 36.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.894 HD22 ' O ' ' A' ' 73' ' ' PRO . 1.9 pt? -40.82 -50.67 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.927 HG11 ' HB2' ' A' ' 57' ' ' ALA . 36.5 t -85.35 43.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -152.65 -42.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.63 -12.39 27.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -100.22 108.92 54.81 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.621 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.0 -36.63 2.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.502 1.791 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -131.68 156.24 46.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -47.66 -53.47 14.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.51 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.8 OUTLIER -38.23 -48.6 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.412 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -57.97 -50.71 72.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.624 ' CG1' HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -53.7 -40.28 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 84' ' ' SER . . . -53.49 -48.11 69.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.85 -46.95 90.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.64 -34.37 62.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.681 ' HG ' HD21 ' A' ' 72' ' ' LEU . 9.1 mp -80.71 -40.67 24.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 95' ' ' GLY . 1.4 t70 -65.24 -46.3 81.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.82 -30.69 65.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -85.05 -20.84 29.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.423 ' HB2' HH21 ' A' ' 17' ' ' ARG . 48.7 mt -90.06 -22.16 21.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 19' ' ' ALA . . . -67.9 -51.06 52.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.85 -61.37 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.418 ' NH2' ' HB3' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -48.63 -35.18 13.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.7 m -79.39 -35.6 40.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -73.02 -29.66 63.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.81 -48.03 34.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.901 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -59.13 -43.66 91.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.53 HG22 ' HB2' ' A' ' 87' ' ' ALA . 3.7 t -58.9 -66.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -39.41 -44.96 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.673 HD13 ' HB1' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -57.75 -53.45 58.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 21' ' ' LEU . 16.8 t -55.61 -57.27 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.228 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -42.51 -55.05 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 31' ' ' THR . 3.5 p -66.29 -53.65 34.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.772 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.6 t -46.82 -53.37 12.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.456 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 3.6 m -54.55 -71.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.404 ' HA ' HD23 ' A' ' 33' ' ' LEU . . . -45.98 -34.86 4.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 27' ' ' THR . 20.2 m -68.14 -38.41 82.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 28' ' ' SER . 55.2 t -59.65 -17.6 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 30' ' ' ALA . 2.9 mm? -90.1 -20.16 23.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.19 0.51 29.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -119.08 130.1 55.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 0.768 . . . . 0.0 109.625 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -103.72 71.19 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.23 106.48 3.36 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 41' ' ' VAL . 18.3 Cg_endo -74.98 -15.32 20.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -54.04 -20.29 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.27 23.72 7.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.656 HG12 ' H ' ' A' ' 43' ' ' ALA . 25.6 t -147.89 124.38 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.66 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.5 mtm180 -92.87 13.49 20.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 81.84 -51.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -96.45 43.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.43 160.42 30.6 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 123.76 8.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 5.5 p90 -74.1 -28.3 61.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -69.78 -16.59 63.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.53 -26.97 24.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.418 HD13 HG22 ' A' ' 29' ' ' THR . 37.9 mt -67.62 -31.09 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.74 41.59 1.56 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.44 1.088 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CE2' HD22 ' A' ' 60' ' ' LEU . 5.2 m-85 -95.57 141.53 28.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -149.38 -83.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.8 m -124.99 -63.93 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.0 -54.83 37.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.97 -30.51 68.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.883 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -68.0 -31.35 70.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.417 ' CG1' ' OD1' ' A' ' 62' ' ' ASN . 1.2 t -83.67 -54.14 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.63 -28.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.612 ' HB2' HG21 ' A' ' 32' ' ' VAL . 11.7 tp -86.49 -50.67 6.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.535 HH21 ' HA ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -59.38 -15.3 15.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.463 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 29.5 m120 -80.18 -38.72 30.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.441 HD22 ' OG ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -85.58 -51.96 6.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.708 ' CD1' HG11 ' A' ' 86' ' ' VAL . 12.3 mt -43.6 -57.81 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.679 ' N ' HD12 ' A' ' 72' ' ' LEU . 3.1 p30 -53.57 -39.44 64.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.466 ' N ' ' OD1' ' A' ' 65' ' ' ASN . . . -67.81 -9.6 45.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.673 ' HB1' HD13 ' A' ' 24' ' ' LEU . . . -107.45 24.02 13.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.936 ' O ' HD21 ' A' ' 94' ' ' LEU . 1.2 p -141.06 -44.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.392 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.71 -3.83 14.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 0.7 OUTLIER -119.62 -160.23 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.52 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -109.67 2.49 20.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.728 HD13 ' CD1' ' A' ' 76' ' ' LEU . 18.8 mt 53.24 163.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 156.18 42.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.477 1.778 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.535 ' HA ' HH21 ' A' ' 61' ' ' ARG . 10.1 t -79.3 -15.76 57.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.962 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 78' ' ' PHE . 77.1 p -90.33 -7.22 53.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.728 ' CD1' HD13 ' A' ' 72' ' ' LEU . 9.6 tt -39.69 -52.93 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.883 HG11 ' CB ' ' A' ' 57' ' ' ALA . 40.5 t -85.13 44.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.481 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -151.44 -41.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.47 8.07 45.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.603 ' CE1' ' HA ' ' A' ' 77' ' ' VAL . 3.7 p-80 -101.32 107.65 51.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.593 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.459 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.4 Cg_endo -75.02 -25.31 11.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -159.69 175.93 12.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 43' ' ' ALA . . . -66.16 -51.91 53.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.37 -27.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.459 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -78.0 -53.05 7.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.153 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.708 HG11 ' CD1' ' A' ' 64' ' ' LEU . 88.4 t -44.51 -50.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.53 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -43.94 -57.33 3.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.52 -55.86 20.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.21 -41.64 13.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.747 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.736 ' HG ' HG21 ' A' ' 68' ' ' THR . 10.8 mp -70.82 -44.69 66.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -61.38 -46.83 88.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.59 -36.86 74.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.47 -27.43 64.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.936 HD21 ' O ' ' A' ' 68' ' ' THR . 48.5 mt -87.71 -24.14 23.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.936 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' ARG . . . -40.4 -56.47 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -63.73 -40.86 97.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -57.94 -54.05 51.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.3 m -66.22 -46.98 75.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.14 -22.71 67.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 16' ' ' GLU . 12.1 tt0 -82.33 -43.28 17.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -30.84 68.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.52 HG22 ' HB2' ' A' ' 87' ' ' ALA . 2.9 t -64.09 -52.8 51.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -54.5 -39.25 67.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 tt -73.35 -45.48 54.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.785 HG22 HD21 ' A' ' 64' ' ' LEU . 2.2 t -49.31 -48.71 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.787 ' HG3' HG11 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -55.25 -62.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -52.65 -47.48 67.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 32' ' ' VAL . 22.7 p -54.31 -43.04 70.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.009 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.643 HG23 ' CE2' ' A' ' 52' ' ' PHE . 25.1 m -61.91 -65.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.417 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.96 -37.01 8.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.3 m -61.09 -37.33 82.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.696 HG21 ' HB2' ' A' ' 60' ' ' LEU . 53.3 t -65.12 -18.08 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.878 HD11 HD13 ' A' ' 50' ' ' LEU . 14.9 mt -104.65 29.58 6.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 39.84 46.39 3.05 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -159.64 133.8 7.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 0.796 . . . . 0.0 109.597 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.43 71.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -136.78 91.69 15.26 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' VAL . 18.5 Cg_endo -74.91 -17.2 19.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.041 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -20.64 6.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.48 27.51 4.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.787 HG11 ' HG3' ' A' ' 26' ' ' ARG . 49.1 t -137.69 144.44 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.694 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -125.47 9.1 7.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 83.66 -50.75 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.6 p -90.89 28.5 1.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 110.454 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -85.25 144.74 41.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.393 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.49 ' HG2' ' CB ' ' A' ' 49' ' ' GLU . 18.3 Cg_endo -75.02 137.92 22.31 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' A' ' 48' ' ' LYS . 27.8 p90 -69.78 -40.85 75.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.629 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -64.47 -10.94 28.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.49 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . 1.9 tp10 -87.93 -35.92 17.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.888 HD11 ' CD1' ' A' ' 52' ' ' PHE . 4.2 pp -85.07 -13.45 50.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.71 60.2 0.94 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.888 ' CD1' HD11 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -123.64 140.18 53.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -159.44 -81.2 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 58' ' ' VAL . 73.1 m -120.28 -68.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.003 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 mt -45.59 -53.71 8.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.821 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -63.32 -39.21 93.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.81 ' HB2' HG11 ' A' ' 77' ' ' VAL . . . -62.9 -37.41 86.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.1 t -67.85 -45.9 83.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.687 ' HB3' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -65.01 -29.22 70.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.696 ' HB2' HG21 ' A' ' 32' ' ' VAL . 7.0 tp -79.73 -40.7 28.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.39 -45.97 92.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -55.56 -38.59 69.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -78.55 -54.21 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.785 HD21 HG22 ' A' ' 25' ' ' VAL . 8.3 mt -49.55 -39.77 35.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -55.85 -27.26 50.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -85.69 9.75 15.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.11 27.08 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.597 ' HA ' HD21 ' A' ' 94' ' ' LEU . 7.0 p -148.73 -58.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.424 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 126.68 -14.97 6.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.452 HD11 ' OE1' ' A' ' 93' ' ' GLU . 0.6 OUTLIER -120.01 -170.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.515 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -92.45 2.87 56.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.647 HD12 ' HB3' ' A' ' 64' ' ' LEU . 13.3 mt 52.94 164.51 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.885 ' O ' HD12 ' A' ' 76' ' ' LEU . 18.4 Cg_endo -75.05 150.4 37.89 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.793 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.1 p -74.92 -23.71 58.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.3 p -92.0 3.22 55.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.428 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.935 HD13 ' H ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -57.69 -40.99 80.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.935 ' H ' HD13 ' A' ' 76' ' ' LEU . 1.6 t -84.86 4.35 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -109.8 -43.89 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.405 ' HB3' ' CE2' ' A' ' 89' ' ' PHE . 1.7 t70 -75.61 -28.76 59.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.823 ' CD2' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -92.01 112.3 54.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.617 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.455 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -74.96 -37.68 1.95 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.484 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -131.54 165.66 23.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.487 ' HB1' ' CG1' ' A' ' 25' ' ' VAL . . . -53.5 -55.52 24.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -37.8 -33.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.943 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 82' ' ' ASN . . . -75.29 -54.56 6.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.823 HG23 ' CD2' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -46.57 -42.44 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.52 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -49.65 -49.62 46.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -62.73 -61.64 6.3 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' A' ' 79' ' ' ASP . 0.7 OUTLIER -44.3 -37.58 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 110.952 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.734 ' CD2' HD22 ' A' ' 64' ' ' LEU . 8.9 mp -77.59 -44.58 27.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -58.44 -45.31 88.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.73 -36.25 76.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.452 ' OE1' HD11 ' A' ' 70' ' ' LEU . 1.6 mt-10 -75.03 -22.73 58.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.245 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.597 HD21 ' HA ' ' A' ' 68' ' ' THR . 4.1 mt -88.86 -25.02 22.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.934 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.44 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.71 -37.81 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -53.35 52.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 22' ' ' VAL . 17.7 m -55.59 -46.52 77.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.5 -24.16 61.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -73.84 -40.89 62.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.533 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -75.74 -23.98 56.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.565 HG12 ' N ' ' A' ' 23' ' ' ARG . 2.3 t -60.91 -72.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.565 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -51.86 -29.53 19.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.609 HD11 ' CB ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -60.27 -52.82 63.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.821 HG11 HG11 ' A' ' 86' ' ' VAL . 79.0 t -56.62 -60.04 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -38.2 -50.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.568 HG23 ' HG3' ' A' ' 38' ' ' PRO . 2.9 m -66.17 -41.2 90.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.43 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 25' ' ' VAL . 1.2 m -65.45 -35.09 79.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.662 ' O ' HG12 ' A' ' 32' ' ' VAL . 1.7 m -64.26 -71.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.954 ' HB1' ' O ' ' A' ' 35' ' ' HIS . . . -44.45 -39.32 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.6 m -62.46 -39.02 92.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.351 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.856 HG13 HD13 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -59.82 -29.78 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.856 HD13 HG13 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -90.68 -20.34 22.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.558 ' O ' ' CG ' ' A' ' 35' ' ' HIS . . . 127.25 -49.65 0.92 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.954 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 75.6 m80 -160.54 -119.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 0.0 109.564 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 3.0 t0 85.81 -8.75 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.8 t0 61.14 121.01 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.568 ' HG3' HG23 ' A' ' 27' ' ' THR . 18.4 Cg_endo -75.0 -18.61 18.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -82.58 0.13 44.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.86 20.98 15.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.567 HG13 HG21 ' A' ' 45' ' ' THR . 41.2 t -135.7 140.23 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -73.17 -179.86 3.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.37 -21.58 19.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 p -113.28 37.56 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.363 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.567 HG21 HG13 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -89.2 157.24 48.16 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.382 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 131.18 13.98 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.45 1.763 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.682 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -82.6 -47.51 12.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -18.08 14.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.43 -32.81 58.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 47' ' ' PHE . 3.1 mt -66.65 -28.89 68.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.22 63.75 0.39 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.617 ' CE1' HG11 ' A' ' 32' ' ' VAL . 3.1 m-85 -113.42 132.49 55.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.637 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -170.59 122.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 58' ' ' VAL . 7.8 m 37.38 -87.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.637 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -43.54 -70.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.484 ' HB3' ' H ' ' A' ' 53' ' ' ASP . . . -58.15 -28.83 65.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.485 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -68.57 -28.72 67.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.9 t -91.06 -48.79 13.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.96 -37.51 9.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.507 HD22 ' HG ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -73.56 -64.09 1.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.46 -25.4 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.28 -41.8 63.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 60' ' ' LEU . 30.1 tp -76.92 -33.49 57.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.639 ' HB3' HD21 ' A' ' 90' ' ' LEU . 4.8 mt -69.15 -10.37 57.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.36 -9.64 59.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.33 -23.52 22.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.609 ' CB ' HD11 ' A' ' 24' ' ' LEU . . . -94.69 1.12 55.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.791 HG21 HD11 ' A' ' 72' ' ' LEU . 3.6 p -127.87 -60.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.35 22.77 56.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.43 -177.77 4.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 3.6 ptp180 -86.8 106.82 17.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.791 HD11 HG21 ' A' ' 68' ' ' THR . 28.1 mt -96.16 157.82 35.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 1.038 ' O ' HD12 ' A' ' 76' ' ' LEU . 18.3 Cg_endo -75.03 150.24 37.71 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.759 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.2 p -85.44 -17.32 36.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -84.67 -11.93 54.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.415 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.038 HD12 ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -51.16 -39.83 57.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.942 ' H ' HD13 ' A' ' 76' ' ' LEU . 2.7 t -62.48 -19.77 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.4 OUTLIER -113.25 -4.19 13.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.041 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 75' ' ' THR . 13.7 t0 -103.83 -17.95 14.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.653 ' NE2' ' CD2' ' A' ' 47' ' ' PHE . 4.1 p-80 -106.38 108.46 61.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.573 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.4 Cg_endo -75.03 -17.77 19.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.418 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 0.2 OUTLIER -156.1 157.9 36.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.402 ' C ' ' N ' ' A' ' 85' ' ' ALA . . . -50.33 -47.91 55.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.61 -25.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.423 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -87.49 -53.94 4.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.865 HG23 HD23 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -54.99 -41.88 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.47 -37.74 62.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -71.01 -61.62 3.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.02 -33.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.791 ' HG ' HG21 ' A' ' 68' ' ' THR . 8.8 mp -78.28 -43.1 28.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 88' ' ' GLY . 2.6 t70 -62.92 -46.62 86.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.76 71.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -75.74 -24.87 56.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.664 HD21 ' HA ' ' A' ' 68' ' ' THR . 8.0 mt -85.01 -26.64 26.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 111.017 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' A' ' 18' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 19' ' ' ALA . . . -60.78 -53.9 51.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -64.78 -57.76 8.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -48.27 -35.42 12.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.405 ' CB ' ' O ' ' A' ' 14' ' ' ARG . 52.4 m -83.67 -37.28 23.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -66.45 -27.99 68.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.29 -39.28 33.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.445 HD23 HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -69.25 -31.04 69.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.493 HG22 ' HB2' ' A' ' 87' ' ' ALA . 2.7 t -65.35 -65.53 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -53.68 -19.93 4.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.684 HD23 ' C ' ' A' ' 24' ' ' LEU . 3.1 tt -82.09 -43.98 17.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.706 HG11 ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -70.28 -20.43 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.35 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.485 ' HG2' HG12 ' A' ' 41' ' ' VAL . 46.7 mtp180 -76.89 -47.65 20.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -77.85 -42.2 34.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.365 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.7 m -60.96 -34.02 74.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.642 ' CG2' ' CE2' ' A' ' 52' ' ' PHE . 3.3 m -71.26 -62.77 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.67 -30.3 3.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 43.0 m -64.28 -34.48 78.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.428 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.543 HG21 ' HB2' ' A' ' 60' ' ' LEU . 86.1 t -59.75 -37.31 70.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.778 HD21 ' O ' ' A' ' 50' ' ' LEU . 4.0 mt -67.68 -23.52 65.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.9 53.6 1.62 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.01 176.97 11.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 109.604 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -142.0 56.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.16 82.99 67.15 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' VAL . 18.4 Cg_endo -74.92 -19.64 17.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -51.74 -28.93 16.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.62 29.14 5.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.485 HG12 ' HG2' ' A' ' 26' ' ' ARG . 78.4 t -127.92 139.95 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 mtp85 -125.91 -174.96 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.54 -17.93 21.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.486 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 60.2 p -118.27 37.5 4.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.748 HG23 ' HD2' ' A' ' 46' ' ' PRO . 2.7 m -91.72 146.75 33.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.748 ' HD2' HG23 ' A' ' 45' ' ' THR . 18.2 Cg_endo -75.01 104.34 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.766 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 1.6 t80 -56.5 -46.85 80.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.38 -36.88 69.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 51' ' ' GLY . 3.4 mm-40 -65.45 -43.81 89.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.778 ' O ' HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -44.88 -26.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 49' ' ' GLU . . . 102.24 35.99 3.74 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.642 ' CE2' ' CG2' ' A' ' 29' ' ' THR . 29.3 m-85 -100.98 106.97 18.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.74 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' SER . 6.0 m-20 -95.28 178.77 5.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 53' ' ' ASP . 4.0 m -37.1 -37.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.48 -64.44 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.619 ' HB3' ' HA ' ' A' ' 52' ' ' PHE . . . -54.59 -42.23 70.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.413 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -58.74 -32.2 69.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 59' ' ' ARG . 0.9 OUTLIER -83.48 -57.46 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.475 ' N ' HG12 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -40.69 -35.22 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.766 HD22 ' CZ ' ' A' ' 47' ' ' PHE . 2.0 tp -77.48 -45.46 25.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -60.93 -25.7 66.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.271 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.451 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 13.1 m120 -78.11 -31.39 49.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.43 -46.69 10.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.603 HD11 ' CG2' ' A' ' 25' ' ' VAL . 8.1 mt -56.17 -18.74 10.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -59.0 -19.79 46.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.03 -18.39 21.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.75 -35.49 67.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.985 HG23 HD23 ' A' ' 90' ' ' LEU . 1.6 p -106.26 -31.78 8.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.59 11.62 68.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.511 HD21 ' HB3' ' A' ' 93' ' ' GLU . 1.6 pp -129.8 177.08 7.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 0.752 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -85.28 99.5 11.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.418 HD11 ' HG ' ' A' ' 90' ' ' LEU . 43.8 mt -78.53 159.93 73.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.898 ' O ' HD12 ' A' ' 76' ' ' LEU . 18.2 Cg_endo -74.98 147.01 33.41 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.53 1.805 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.8 p -75.44 -21.88 57.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 78' ' ' PHE . 70.8 p -90.65 -1.16 57.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.433 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.937 HD13 ' H ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -52.26 -40.47 61.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.937 ' H ' HD13 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -69.06 -19.95 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 75' ' ' THR . 1.2 m-85 -91.88 -51.38 5.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -59.34 -29.63 67.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.714 ' ND1' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -94.9 113.46 61.33 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.622 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -33.14 4.85 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.545 1.813 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.486 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -140.06 162.57 34.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 85' ' ' ALA . . . -52.17 -51.75 56.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -37.54 -31.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.953 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -83.79 -52.1 6.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.714 HG23 ' ND1' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -47.18 -41.83 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.493 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -53.43 -43.16 67.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.13 -59.35 7.52 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -44.3 -33.98 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 0.796 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.985 HD23 HG23 ' A' ' 68' ' ' THR . 3.3 mp -81.96 -47.78 12.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -55.32 -48.65 73.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.04 -38.44 70.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.511 ' HB3' HD21 ' A' ' 70' ' ' LEU . 25.4 mm-40 -70.87 -26.57 63.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.79 ' CD1' HG22 ' A' ' 68' ' ' THR . 2.7 mt -86.44 -24.91 25.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.11 . . . . 0.0 111.013 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.73 -72.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 5.1 mm-40 -41.17 -45.35 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -61.53 -56.15 23.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.348 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 m -58.55 -47.69 83.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.367 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.54 -21.82 65.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 0.7 OUTLIER -78.5 -43.24 27.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.999 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -58.26 -46.46 85.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.343 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.543 HG22 ' HB2' ' A' ' 87' ' ' ALA . 54.9 t -58.87 -64.06 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -42.22 -29.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -87.01 -42.78 12.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.999 HG23 ' O ' ' A' ' 21' ' ' LEU . 96.7 t -53.96 -41.57 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.466 ' CG ' HG12 ' A' ' 41' ' ' VAL . 2.1 ttp180 -62.69 -72.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.4 m -49.18 -46.24 45.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 82.6 p -48.47 -42.66 33.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.984 ' O ' HG12 ' A' ' 32' ' ' VAL . 16.8 m -72.2 -64.76 0.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.723 ' HB1' ' CD2' ' A' ' 35' ' ' HIS . . . -47.47 -32.42 5.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.5 m -60.97 -34.63 75.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.4 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.984 HG12 ' O ' ' A' ' 29' ' ' THR . 3.4 p -70.6 -24.42 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.714 HD23 ' HA ' ' A' ' 30' ' ' ALA . 2.2 mm? -76.41 -34.83 58.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.71 -5.31 32.74 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.723 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -95.05 -17.1 22.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.618 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.521 ' C ' ' O ' ' A' ' 35' ' ' HIS . 10.0 t70 30.68 45.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.232 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 35' ' ' HIS . 76.1 m-20 -113.97 96.94 43.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.17 18.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.792 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -19.42 63.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.87 -4.72 27.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.568 HG21 ' HB2' ' A' ' 30' ' ' ALA . 94.3 t -117.24 142.96 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -117.96 175.51 5.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.471 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . . . -81.74 -22.99 36.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.474 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 8.1 p -115.26 35.32 4.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.8 150.84 37.19 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 110.396 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 101.86 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.616 ' HA ' HD12 ' A' ' 50' ' ' LEU . 6.0 p90 -56.67 -25.81 54.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -15.87 62.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -94.24 -23.23 17.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 47' ' ' PHE . 60.0 mt -67.36 -27.65 67.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.39 57.26 0.27 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.747 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 3.2 m-85 -123.77 147.57 47.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -148.57 -71.68 0.2 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.2 m -138.42 -66.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.2 -45.91 72.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.482 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -65.2 -39.57 93.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.83 -26.39 66.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -87.33 -54.95 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.51 -34.76 5.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.483 HD23 HG21 ' A' ' 77' ' ' VAL . 17.6 tp -68.5 -52.69 29.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -39.84 25.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -73.46 -25.85 60.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.6 tt -83.53 -30.51 27.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.472 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 6.4 mt -76.15 -19.81 58.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.07 -15.79 26.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.64 -17.52 20.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.71 -30.2 36.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.588 HG21 HD21 ' A' ' 72' ' ' LEU . 2.8 p -111.06 -51.53 2.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.1 16.45 50.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 93' ' ' GLU . 1.4 pp -131.46 -174.99 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.477 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 1.1 ptp180 -79.47 98.89 6.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.588 HD21 HG21 ' A' ' 68' ' ' THR . 34.8 mt -82.79 159.73 62.72 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.566 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.4 Cg_endo -75.01 144.69 30.52 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.0 t -78.58 -17.63 55.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.965 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 78' ' ' PHE . 7.8 p -89.66 -1.71 58.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.411 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.451 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 2.6 tt -39.22 -56.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.58 HG11 ' CD2' ' A' ' 52' ' ' PHE . 50.4 t -85.42 44.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.5 OUTLIER -156.09 -41.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.76 -11.0 37.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.554 ' C ' ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -90.7 139.66 26.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.603 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.814 ' HD2' ' HB3' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -74.98 -58.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.549 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 54.4 m-80 -128.45 -97.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' A' ' 43' ' ' ALA . . . -143.25 -31.27 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.34 -33.64 54.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.814 ' HB3' ' HD2' ' A' ' 81' ' ' PRO . . . -81.24 -41.77 21.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.637 HG12 HD11 ' A' ' 90' ' ' LEU . 95.0 t -48.61 -43.92 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.543 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -54.93 -51.85 64.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.37 -59.87 7.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -49.06 -38.63 24.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 111.06 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.637 HD11 HG12 ' A' ' 86' ' ' VAL . 8.8 mt -73.88 -37.53 64.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.77 -45.91 70.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.2 79.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.498 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 3.8 mm-40 -69.56 -28.09 65.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.519 HD21 ' O ' ' A' ' 68' ' ' THR . 13.2 mt -88.96 -22.75 22.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.508 1.13 . . . . 0.0 111.056 -179.979 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.792 HH21 ' C ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.25 -69.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -49.47 -55.31 13.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -37.69 62.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.468 ' CB ' ' O ' ' A' ' 14' ' ' ARG . 16.1 m -72.93 -37.47 67.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.428 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.71 -18.48 54.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -79.62 -49.63 11.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.602 HD13 HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -45.93 -52.69 11.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.953 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.029 HG13 HH21 ' A' ' 26' ' ' ARG . 12.9 t -57.41 -71.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.4 mtt85 -42.24 -27.69 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.934 HD21 ' HB1' ' A' ' 67' ' ' ALA . 1.1 tp -76.47 -58.44 3.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.75 HG11 HG11 ' A' ' 86' ' ' VAL . 57.3 t -42.53 -49.93 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 1.029 HH21 HG13 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -46.89 -62.74 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' ' 31' ' ' THR . 13.3 m -48.79 -35.32 14.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.415 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 t -68.32 -45.2 73.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.989 ' O ' HG12 ' A' ' 32' ' ' VAL . 18.9 m -55.53 -73.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.87 -31.09 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 27' ' ' THR . 3.2 m -73.17 -38.84 66.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.989 HG12 ' O ' ' A' ' 29' ' ' THR . 2.7 p -59.4 -22.19 22.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 50' ' ' LEU . 1.8 mt -90.46 -20.43 22.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.76 43.06 3.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -148.58 169.73 19.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 0.755 . . . . 0.0 109.623 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -127.8 75.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -141.2 80.1 17.14 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -18.26 18.77 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.85 10.21 27.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.22 -14.13 15.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.498 HG13 ' CG ' ' A' ' 26' ' ' ARG . 10.8 p -117.81 161.02 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.442 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 1.7 mtm180 -118.61 168.15 10.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.51 -16.39 56.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 p -116.26 29.88 7.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -110.84 141.48 24.23 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.433 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 45' ' ' THR . 18.4 Cg_endo -74.96 108.77 2.79 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.696 ' CD1' HG21 ' A' ' 29' ' ' THR . 8.7 m-30 -49.0 -20.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -71.6 -31.19 66.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -54.45 -19.09 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.554 ' CD1' ' HA ' ' A' ' 47' ' ' PHE . 1.4 mp -97.51 -17.48 19.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 52' ' ' PHE . . . 127.88 -44.22 1.25 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.787 ' CE2' HD22 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -35.76 135.15 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.997 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.616 ' O ' ' HB2' ' A' ' 57' ' ' ALA . 32.5 t0 -170.13 -56.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 57' ' ' ALA . 93.7 p -116.19 -84.4 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.983 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 55' ' ' LEU . 11.9 mt -41.71 -45.7 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.709 ' HB3' ' HA ' ' A' ' 52' ' ' PHE . . . -72.81 -36.55 67.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.957 ' HB1' HG21 ' A' ' 77' ' ' VAL . . . -62.5 -38.1 88.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.8 t -76.63 -32.81 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -83.02 -16.05 48.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 110.321 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.787 HD22 ' CE2' ' A' ' 52' ' ' PHE . 9.3 tp -78.58 -50.71 11.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.679 ' HD3' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -54.82 -59.04 5.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -44.97 -27.74 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.408 ' N ' ' C ' ' A' ' 61' ' ' ARG . 0.8 OUTLIER -90.42 -38.73 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.267 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 11.2 mt -74.45 -5.05 40.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -66.74 -38.6 86.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.57 -5.26 59.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.934 ' HB1' HD21 ' A' ' 24' ' ' LEU . . . -80.64 -30.93 36.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.583 HG21 HD22 ' A' ' 90' ' ' LEU . 1.2 p -115.66 -39.04 3.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.67 -4.36 24.55 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.867 HD11 ' HG2' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -119.35 -169.57 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.764 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.499 ' O ' ' O ' ' A' ' 72' ' ' LEU . 14.4 mtm180 -94.27 2.24 55.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.766 HD21 ' CD2' ' A' ' 90' ' ' LEU . 19.1 mt 52.87 165.01 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 72' ' ' LEU . 18.4 Cg_endo -75.02 133.28 16.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.454 ' HA ' HH21 ' A' ' 61' ' ' ARG . 57.0 p -56.13 -24.17 39.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.005 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 79' ' ' ASP . 60.7 p -90.52 1.81 56.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.422 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.071 HD23 HG13 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -40.01 -76.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.071 HG13 HD23 ' A' ' 76' ' ' LEU . 32.2 m -59.11 -16.72 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.436 ' CB ' ' HA ' ' A' ' 75' ' ' THR . 4.5 t80 -84.34 -10.39 57.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 75' ' ' THR . 10.5 t0 -127.07 -1.88 6.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.644 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -110.84 103.34 54.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.615 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -74.99 -51.0 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -122.07 167.51 13.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.594 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . . . -56.87 -55.55 33.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' ALA . 1.3 t -38.26 -41.48 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.473 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -68.53 -63.08 1.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.75 HG11 HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -41.53 -49.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.601 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -44.76 -55.35 5.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.09 -60.0 8.69 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.7 -34.26 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.766 ' CD2' HD21 ' A' ' 72' ' ' LEU . 75.7 mt -76.9 -38.66 53.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -68.39 -45.74 71.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.33 -36.63 80.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.867 ' HG2' HD11 ' A' ' 70' ' ' LEU . 1.2 tp10 -69.95 -27.91 65.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.8 mt -90.08 -21.81 22.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.792 ' C ' HH21 ' A' ' 14' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.445 1.091 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.57 -65.98 0.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLU . 5.9 mm-40 -38.71 -54.86 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -55.24 -54.77 39.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.402 ' OG1' ' OD1' ' A' ' 91' ' ' ASP . 36.8 m -56.59 -43.18 79.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.41 -13.65 60.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' GLU . 9.2 tt0 -87.33 -41.37 13.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.53 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -68.58 -38.67 80.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.0 t -54.46 -62.22 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.65 -41.7 22.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.521 HD21 ' HA ' ' A' ' 67' ' ' ALA . 6.1 tp -67.49 -52.56 37.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.555 HG21 HG12 ' A' ' 86' ' ' VAL . 31.3 t -46.81 -38.08 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -71.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 31' ' ' THR . 1.4 p -43.77 -43.29 6.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.34 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.443 ' HA ' HD21 ' A' ' 63' ' ' LEU . 3.5 m -59.45 -48.18 82.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.831 HG23 ' CE2' ' A' ' 52' ' ' PHE . 100.0 m -55.03 -59.36 4.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.686 ' HA ' HD12 ' A' ' 33' ' ' LEU . . . -60.91 -36.1 78.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 27' ' ' THR . 1.3 m -55.55 -38.57 69.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.587 HG22 ' HB3' ' A' ' 59' ' ' ARG . 6.6 t -60.83 -27.38 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.697 HD11 ' HB2' ' A' ' 50' ' ' LEU . 5.6 mt -86.09 -12.07 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.229 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.86 24.28 76.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.6 OUTLIER -85.41 -13.64 48.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.619 179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' HIS . 6.5 m-20 37.41 65.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -178.3 120.22 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.498 ' HA ' HG12 ' A' ' 41' ' ' VAL . 18.5 Cg_endo -74.98 -19.2 18.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.444 1.76 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -63.45 -16.52 60.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.85 27.46 5.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' A' ' 38' ' ' PRO . 7.1 p -168.03 158.24 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -138.44 175.26 9.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.17 -29.54 34.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.7 p -113.49 39.5 2.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.621 HG23 ' HD2' ' A' ' 46' ' ' PRO . 1.5 m -108.07 143.66 27.82 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.621 ' HD2' HG23 ' A' ' 45' ' ' THR . 18.3 Cg_endo -74.99 140.7 25.79 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.555 ' HA ' HD21 ' A' ' 50' ' ' LEU . 7.9 p90 -67.01 -33.1 74.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.536 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -70.12 -7.92 45.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' CG ' ' HG2' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -88.71 -33.74 17.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.697 ' HB2' HD11 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -90.92 -10.55 42.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.54 64.96 1.15 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.831 ' CE2' HG23 ' A' ' 29' ' ' THR . 1.4 m-30 -121.19 138.34 54.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.593 ' O ' ' HB2' ' A' ' 57' ' ' ALA . 5.3 m-20 -156.14 -86.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 57' ' ' ALA . 8.9 p -111.93 -79.73 0.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.961 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.43 -46.03 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.735 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -70.49 -40.26 73.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.895 ' HA ' HG21 ' A' ' 77' ' ' VAL . . . -62.42 -40.37 96.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.178 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.53 HG12 HD21 ' A' ' 62' ' ' ASN . 2.2 t -67.64 -54.7 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.619 ' HA ' ' OD1' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -56.7 -20.53 22.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.752 HD22 ' CE2' ' A' ' 52' ' ' PHE . 45.2 tp -81.42 -41.93 21.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -68.69 -61.35 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.318 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.619 ' OD1' ' HA ' ' A' ' 59' ' ' ARG . 2.7 p30 -51.35 -24.92 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' ' 28' ' ' SER . 52.7 tp -85.82 -43.32 13.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.1 mt -72.38 -6.13 41.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.3 -22.17 66.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.29 -15.74 22.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.521 ' HA ' HD21 ' A' ' 24' ' ' LEU . . . -74.25 -24.65 59.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.97 HG21 HD22 ' A' ' 90' ' ' LEU . 36.8 p -129.89 -44.35 1.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.373 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.74 -11.74 15.53 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.43 HD23 ' HB ' ' A' ' 68' ' ' THR . 0.6 OUTLIER -95.89 -174.66 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' A' ' 72' ' ' LEU . 3.7 ptp180 -92.96 6.2 48.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.868 HD23 HD13 ' A' ' 76' ' ' LEU . 1.8 mp 55.11 164.65 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.567 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -75.0 143.64 29.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.0 p -66.44 -24.96 66.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.974 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 78' ' ' PHE . 44.9 p -91.04 4.48 52.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.868 HD13 HD23 ' A' ' 72' ' ' LEU . 4.3 tp -41.38 -61.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.895 HG21 ' HA ' ' A' ' 57' ' ' ALA . 86.9 t -87.36 25.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.1 OUTLIER -139.97 9.5 2.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.4 OUTLIER -140.45 -37.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.72 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -87.57 121.59 70.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.585 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.455 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -127.1 -173.95 3.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -77.89 -43.45 30.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.89 -26.95 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 83' ' ' ALA . . . -83.97 -44.57 14.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.72 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 2.7 t -48.16 -50.07 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.94 -49.67 15.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.9 -57.24 20.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.1 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.567 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -51.57 -27.98 12.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.754 . . . . 0.0 110.962 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.97 HD22 HG21 ' A' ' 68' ' ' THR . 72.6 mt -85.04 -41.93 15.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.402 ' OD1' ' OG1' ' A' ' 18' ' ' THR . 5.2 t70 -56.45 -47.65 78.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.09 -35.04 74.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -73.52 -25.4 60.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.7 mt -89.75 -23.24 21.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.985 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.9 -82.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -43.28 -32.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -62.83 -52.75 61.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.527 HG23 ' OD1' ' A' ' 91' ' ' ASP . 23.0 m -61.64 -48.09 82.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.422 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.36 -27.6 67.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 3.8 tt0 -69.04 -45.39 70.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.565 HD21 ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -60.16 -36.43 77.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.857 HG22 ' HB2' ' A' ' 87' ' ' ALA . 40.4 t -62.57 -63.86 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.3 ttt-85 -55.79 -23.75 31.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.348 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.87 HD22 ' HB2' ' A' ' 67' ' ' ALA . 6.2 tt -80.75 -65.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.623 HG11 ' CG1' ' A' ' 86' ' ' VAL . 0.3 OUTLIER -42.8 -33.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.789 ' HG2' HG11 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -68.42 -64.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.3 m -51.6 -38.54 55.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.468 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.684 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.0 t -62.13 -54.17 45.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.054 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.542 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 24.4 m -59.59 -46.84 87.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.419 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.72 -29.68 70.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 m -72.58 -34.72 67.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 28' ' ' SER . 67.6 t -62.95 -14.24 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 33' ' ' LEU . 2.3 mm? -101.0 17.83 21.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.72 51.01 40.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -156.21 120.63 4.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.613 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.56 63.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.31 85.75 31.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.6 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.4 Cg_endo -75.0 -20.75 16.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -16.76 25.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.62 -17.77 20.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.789 HG11 ' HG2' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -78.97 -167.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.773 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 30.9 ttm-85 -153.13 -81.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 42' ' ' ARG . . . 153.72 -22.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 p -118.15 16.2 14.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.89 145.58 44.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 81' ' ' PRO . 18.1 Cg_endo -75.0 117.52 4.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.538 1.809 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -59.69 -23.14 62.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -57.06 -36.08 70.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.41 -16.82 59.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.42 -17.72 53.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.38 85.47 0.85 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.537 1.148 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.542 ' CZ ' HG23 ' A' ' 29' ' ' THR . 0.4 OUTLIER -131.53 138.75 49.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.986 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.627 ' H ' ' HB3' ' A' ' 56' ' ' ALA . 30.9 m-20 -135.49 -175.63 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.418 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 3.5 m -56.85 -17.6 9.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.029 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.02 -53.16 4.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.627 ' HB3' ' H ' ' A' ' 53' ' ' ASP . . . -66.1 -40.75 91.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.524 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -64.47 -36.73 85.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 54' ' ' SER . 2.4 t -72.5 -54.06 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -23.02 15.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.565 HD21 HD21 ' A' ' 64' ' ' LEU . 1.5 tm? -80.25 -51.6 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -28.27 49.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -74.27 -23.21 59.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.541 HD22 ' OG ' ' A' ' 28' ' ' SER . 1.2 tt -89.43 -45.44 9.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.565 HD21 HD21 ' A' ' 60' ' ' LEU . 4.0 mt -51.06 -23.21 2.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -19.58 17.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.16 -21.73 24.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.87 ' HB2' HD22 ' A' ' 24' ' ' LEU . . . -87.25 -13.17 44.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.675 HG21 ' CD2' ' A' ' 90' ' ' LEU . 23.4 p -139.19 -71.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.91 16.53 25.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.409 ' C ' HD12 ' A' ' 70' ' ' LEU . 4.3 pp -114.74 -170.2 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -82.06 102.18 10.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.493 ' CD2' HD21 ' A' ' 90' ' ' LEU . 59.7 mt -79.75 146.96 65.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.521 ' CG ' ' CE1' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -74.95 153.47 42.07 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.6 p -77.75 -20.93 52.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 78' ' ' PHE . 47.0 p -91.36 -3.48 56.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.63 ' C ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -45.05 -48.86 11.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.791 ' O ' HG12 ' A' ' 77' ' ' VAL . 53.9 t -88.97 36.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 75' ' ' THR . 3.5 t80 -148.19 -42.46 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 111.031 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.27 -11.04 53.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.751 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -103.14 106.42 50.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.613 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.478 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.1 Cg_endo -75.03 -24.79 12.43 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.99 162.13 38.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.524 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . . . -51.74 -54.36 29.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.67 -33.87 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 110.038 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.478 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -87.35 -46.78 9.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.751 HG23 ' CG ' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -53.34 -41.26 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.857 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -52.37 -44.22 65.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 89' ' ' PHE . . . -65.2 -59.6 7.72 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.116 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.633 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -37.42 -45.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 0.788 . . . . 0.0 111.042 179.973 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.675 ' CD2' HG21 ' A' ' 68' ' ' THR . 1.2 mt -74.1 -59.49 2.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.527 ' OD1' HG23 ' A' ' 18' ' ' THR . 1.5 t70 -43.24 -52.29 5.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.73 -39.69 58.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.7 tt0 -77.42 -22.18 51.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.4 mt -84.33 -28.17 27.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.88 -61.01 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 20' ' ' GLU . 13.5 mm-40 -55.37 -39.95 70.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.665 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -63.18 -47.25 83.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 m -64.29 -45.35 88.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.385 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.9 -22.08 61.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' GLU . 4.2 tt0 -74.85 -41.42 59.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.635 ' CD2' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -67.79 -32.95 73.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.72 HG22 ' HB2' ' A' ' 87' ' ' ALA . 5.1 t -64.94 -51.21 69.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -38.81 71.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.771 HD12 ' HB2' ' A' ' 67' ' ' ALA . 2.6 tm? -74.84 -37.01 62.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.512 HG11 ' CG1' ' A' ' 86' ' ' VAL . 2.2 t -56.11 -53.82 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -63.95 -71.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' ARG . 3.8 m -38.27 -31.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.996 ' O ' HG12 ' A' ' 32' ' ' VAL . 36.9 t -80.62 -51.16 9.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.575 ' CG2' HD21 ' A' ' 50' ' ' LEU . 98.9 m -48.31 -34.67 10.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.628 ' HB1' ' O ' ' A' ' 35' ' ' HIS . . . -82.6 -31.39 28.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' GLY . 41.5 m -72.78 -52.45 14.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.996 HG12 ' O ' ' A' ' 28' ' ' SER . 0.5 OUTLIER -45.11 -50.43 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.053 HD11 ' O ' ' A' ' 51' ' ' GLY . 13.3 mt -67.14 -29.22 68.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.554 ' O ' ' CG ' ' A' ' 35' ' ' HIS . . . 146.41 -62.33 0.46 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.628 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 30.3 m80 -159.66 -127.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.75 . . . . 0.0 109.594 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.601 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 2.5 t70 88.23 -16.8 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 36' ' ' ASP . 0.3 OUTLIER 58.95 155.72 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.44 ' HA ' HG12 ' A' ' 41' ' ' VAL . 18.2 Cg_endo -75.05 -21.12 16.1 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.466 1.772 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -28.98 70.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 36' ' ' ASP . . . -93.61 40.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.455 ' CG2' HG21 ' A' ' 45' ' ' THR . 1.1 p -175.88 147.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.04 176.81 5.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.01 -22.68 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -112.57 36.18 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.455 HG21 ' CG2' ' A' ' 41' ' ' VAL . 0.4 OUTLIER -105.87 156.15 37.11 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.385 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.35 12.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.547 1.814 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.884 ' HA ' HD23 ' A' ' 50' ' ' LEU . 26.2 p90 -76.8 -30.82 56.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -67.22 -10.98 56.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.72 -29.56 12.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.884 HD23 ' HA ' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -86.09 -13.78 46.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 1.053 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 117.97 121.69 3.14 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.696 ' CE1' ' HB1' ' A' ' 56' ' ' ALA . 0.1 OUTLIER 169.25 146.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 111.018 179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.25 -76.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' VAL . 38.4 m -130.76 -65.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.43 -55.45 8.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.696 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -66.66 -32.31 73.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.572 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -66.29 -31.32 72.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.3 t -84.71 -59.54 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.53 ' HB3' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -40.59 -34.8 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.724 HD13 HG11 ' A' ' 32' ' ' VAL . 12.4 tp -67.89 -68.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.05 -29.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 60' ' ' LEU . 4.9 m-80 -74.52 -53.27 9.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 60' ' ' LEU . 2.1 tt -66.4 -44.65 82.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' ALA . 5.9 mt -44.35 -30.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -50.5 -35.73 30.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.84 -29.83 70.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.771 ' HB2' HD12 ' A' ' 24' ' ' LEU . . . -83.25 -22.84 32.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.713 ' OG1' HD11 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -121.47 -88.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 -179.944 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.21 12.83 7.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.638 HD13 ' HB ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -121.98 -173.61 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 109.314 179.938 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -81.35 81.54 7.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.713 HD11 ' OG1' ' A' ' 68' ' ' THR . 19.6 mt -62.94 160.15 40.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.716 ' O ' HD12 ' A' ' 76' ' ' LEU . 18.2 Cg_endo -75.02 148.63 35.48 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.0 m -81.1 -21.61 39.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 79' ' ' ASP . 33.8 p -92.27 2.69 56.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.93 HD13 ' H ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -53.68 -40.81 66.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.93 ' H ' HD13 ' A' ' 76' ' ' LEU . 2.1 t -79.82 1.68 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -119.05 -12.58 9.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.4 OUTLIER -108.45 -8.37 15.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.691 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -112.27 103.19 55.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.592 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.458 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.03 -22.26 14.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -152.63 168.68 24.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 86' ' ' VAL . . . -59.88 -54.62 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.19 -27.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.458 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -88.16 -47.65 8.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.691 HG23 ' CG ' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -55.02 -46.21 77.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.72 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -46.82 -51.08 17.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -57.61 -57.42 19.88 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.123 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.627 ' CZ ' HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -45.7 -48.67 15.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 0.745 . . . . 0.0 111.008 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.695 HD23 ' CG2' ' A' ' 68' ' ' THR . 0.4 OUTLIER -60.79 -48.04 83.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -50.07 -23.65 2.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 89' ' ' PHE . . . -81.85 -34.2 30.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 90' ' ' LEU . 6.3 mm-40 -73.48 -29.62 62.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.665 HD22 ' CZ ' ' A' ' 17' ' ' ARG . 1.2 mt -91.38 -20.16 22.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.445 1.091 . . . . 0.0 111.0 -179.997 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.15 -70.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLU . 3.1 mp0 -41.61 -49.0 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -57.13 -54.56 45.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 m -60.4 -42.65 96.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.07 -22.96 63.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.8 tt0 -76.31 -49.63 16.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.98 ' O ' HG13 ' A' ' 25' ' ' VAL . 2.5 mm? -46.39 -57.04 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.838 HG22 ' HB2' ' A' ' 87' ' ' ALA . 99.4 t -53.23 -62.76 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -41.11 -25.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.696 HD22 ' HB2' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -90.83 -47.92 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.98 HG13 ' O ' ' A' ' 21' ' ' LEU . 1.5 m -57.27 -37.23 55.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.747 ' CZ ' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -77.19 -71.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.406 ' O ' ' CB ' ' A' ' 31' ' ' THR . 39.0 m -39.21 -50.12 1.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.924 ' O ' HG23 ' A' ' 32' ' ' VAL . 68.9 m -61.99 -56.11 22.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.888 HG21 HD13 ' A' ' 50' ' ' LEU . 2.0 m -46.29 -62.98 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.18 -37.49 69.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 27' ' ' THR . 3.5 m -64.13 -36.52 84.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 28' ' ' SER . 45.6 t -60.5 -53.15 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.892 HD21 ' O ' ' A' ' 50' ' ' LEU . 31.0 mt -54.73 -26.54 34.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.22 30.64 4.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.147 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -136.49 101.9 4.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.732 . . . . 0.0 109.603 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -83.27 73.09 10.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.91 97.8 1.68 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -23.34 14.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.551 1.816 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -13.16 58.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -104.46 36.37 2.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.487 HG21 HD21 ' A' ' 50' ' ' LEU . 3.7 p -174.94 152.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.79 -176.21 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.478 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . . . -98.73 -14.65 19.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 p -108.06 20.57 18.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.401 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -83.59 148.78 55.84 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.449 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.49 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -75.03 104.75 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.731 ' HA ' HD12 ' A' ' 50' ' ' LEU . 28.1 p90 -46.68 -24.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -59.64 -22.59 62.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.242 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -90.31 -6.9 54.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.892 ' O ' HD21 ' A' ' 33' ' ' LEU . 39.0 mt -92.13 33.98 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 43.81 28.81 1.23 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.76 ' HE2' HD22 ' A' ' 60' ' ' LEU . 2.4 m-30 -99.21 140.03 33.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -158.74 -66.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.491 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 58.5 m -129.4 -80.79 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.4 -62.2 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.609 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -58.95 -30.73 68.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 54' ' ' SER . . . -69.7 -29.76 67.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.5 t -90.37 -23.93 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -28.51 63.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.76 HD22 ' HE2' ' A' ' 52' ' ' PHE . 4.4 tp -90.73 -28.83 18.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -73.14 -27.01 61.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.445 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -83.66 -23.18 31.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 tt -87.97 -46.41 9.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 64' ' ' LEU . 12.9 mt -59.72 -16.17 25.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -58.53 -17.79 24.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -106.17 21.13 17.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.696 ' HB2' HD22 ' A' ' 24' ' ' LEU . . . -132.7 11.6 4.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' THR . . . . . 1.093 HG21 HD22 ' A' ' 90' ' ' LEU . 1.1 p -147.49 -53.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.46 3.49 22.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.618 HD21 ' HG2' ' A' ' 93' ' ' GLU . 0.6 OUTLIER -121.92 179.16 4.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.472 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -83.59 3.11 34.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.714 HD23 ' HZ ' ' A' ' 89' ' ' PHE . 0.5 OUTLIER 56.57 156.09 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.54 ' CG ' ' CE1' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.03 152.94 41.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 94.8 p -77.17 -24.36 51.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.093 . . . . 0.0 109.948 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 78' ' ' PHE . 18.7 p -92.75 1.85 57.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 110.42 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.685 ' CD1' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -45.63 -47.49 14.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.731 ' O ' HG12 ' A' ' 77' ' ' VAL . 69.0 t -90.88 36.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -144.36 -43.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.37 -8.39 57.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.838 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -104.53 105.45 50.18 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.563 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -75.02 -31.87 5.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -143.03 171.03 14.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.747 ' HB2' ' CZ ' ' A' ' 26' ' ' ARG . . . -62.91 -52.37 63.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.81 -25.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.447 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -90.18 -32.94 16.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.838 HG23 ' CG ' ' A' ' 80' ' ' HIS . 0.4 OUTLIER -65.21 -49.85 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.958 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.838 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -47.82 -43.54 28.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.2 -54.13 34.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.714 ' HZ ' HD23 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -48.24 -40.78 25.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 0.722 . . . . 0.0 110.985 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.093 HD22 HG21 ' A' ' 68' ' ' THR . 12.0 mt -75.41 -53.71 8.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 95' ' ' GLY . 2.5 t70 -46.16 -52.16 12.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.32 -35.63 74.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.618 ' HG2' HD21 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -71.37 -27.72 63.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.778 HD11 HG22 ' A' ' 68' ' ' THR . 18.4 mt -90.08 -21.21 22.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.91 -69.19 0.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -55.73 -42.41 75.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -54.59 -55.55 28.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.7 m -64.37 -45.02 89.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.72 -17.3 55.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -89.3 -45.9 9.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.587 HD11 HG22 ' A' ' 68' ' ' THR . 1.7 mm? -55.7 -55.96 26.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.475 HG22 ' HB2' ' A' ' 87' ' ' ALA . 79.6 t -51.92 -67.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -38.78 -42.39 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.0 tt -70.86 -47.85 57.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 22' ' ' VAL . 9.5 t -51.06 -67.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.691 ' NH1' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -45.14 -68.89 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 31' ' ' THR . 27.4 m -39.13 -48.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.446 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.513 ' O ' HG12 ' A' ' 32' ' ' VAL . 42.2 t -63.26 -57.24 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.751 ' O ' HD12 ' A' ' 33' ' ' LEU . 3.6 m -53.27 -30.01 36.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.351 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.42 -29.46 22.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' THR . 20.8 m -73.68 -52.03 14.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.454 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 28' ' ' SER . 7.3 p -48.99 -51.36 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.751 HD12 ' O ' ' A' ' 29' ' ' THR . 9.1 mt -53.75 -26.45 23.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 31' ' ' THR . . . 98.86 49.12 1.67 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -147.55 167.42 24.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 0.733 . . . . 0.0 109.637 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -144.09 47.34 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.07 80.59 64.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -19.09 18.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -3.51 35.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.518 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -118.55 38.29 3.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 40' ' ' ALA . 67.9 t -156.74 136.36 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.45 166.91 11.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.31 -19.37 28.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -111.9 32.03 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -93.68 159.22 35.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 133.39 16.53 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.55 1.816 . . . . 0.0 111.05 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.61 ' CG ' ' N ' ' A' ' 48' ' ' LYS . 12.4 p90 -70.5 -46.59 63.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 111.049 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.61 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -56.63 -18.66 12.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -77.8 -36.2 50.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.667 ' HB3' HD11 ' A' ' 33' ' ' LEU . 13.9 mt -56.18 -34.62 66.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.54 37.06 0.8 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.642 ' CD2' HG11 ' A' ' 77' ' ' VAL . 5.5 m-85 -97.26 153.14 18.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.784 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.06 -74.84 0.2 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.439 ' O ' HG23 ' A' ' 58' ' ' VAL . 68.5 m -140.41 -52.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.7 -51.12 64.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.45 88.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.495 ' HB1' ' HB ' ' A' ' 77' ' ' VAL . . . -70.14 -36.89 75.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 54' ' ' SER . 3.3 t -70.83 -56.95 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -37.21 18.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.469 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 28.8 tp -62.02 -54.79 36.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.418 ' NH1' HD21 ' A' ' 65' ' ' ASN . 0.1 OUTLIER -47.64 -51.21 22.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -50.67 -30.8 14.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.05 -40.35 13.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.496 ' HB3' HD21 ' A' ' 90' ' ' LEU . 2.8 mt -57.75 -32.19 67.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.418 HD21 ' NH1' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -60.95 -19.99 61.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.67 -15.92 20.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.86 -35.5 74.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.241 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.819 ' CG2' HD23 ' A' ' 90' ' ' LEU . 30.7 p -119.15 -39.35 2.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.7 -2.33 32.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.721 HD11 ' HB3' ' A' ' 93' ' ' GLU . 1.1 pp -111.77 -174.74 2.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.75 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.639 ' O ' HD12 ' A' ' 70' ' ' LEU . 10.7 ptp85 -85.94 -178.55 6.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.543 HD11 HD21 ' A' ' 90' ' ' LEU . 77.3 mt -155.42 158.04 31.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 151.3 39.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.2 t -71.58 -18.32 62.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.03 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 78' ' ' PHE . 24.2 p -89.86 -5.71 56.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.398 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.023 HD23 HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -40.58 -58.44 1.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.335 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.023 HG23 HD23 ' A' ' 76' ' ' LEU . 70.5 t -87.94 38.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.481 ' N ' ' O ' ' A' ' 75' ' ' THR . 7.4 t80 -143.84 -44.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.59 -15.8 36.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.556 ' C ' ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -90.23 127.59 52.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.61 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.01 -47.44 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.539 1.81 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.1 178.43 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.691 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . . . -63.58 -48.43 77.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -38.93 -36.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -75.58 -54.6 6.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.49 HG22 HD11 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -47.28 -46.68 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.475 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -49.3 -46.27 46.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.55 -63.48 4.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.49 ' O ' ' CG ' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -39.47 -39.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 111.012 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.819 HD23 ' CG2' ' A' ' 68' ' ' THR . 2.6 mp -75.76 -49.7 17.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.538 ' HA ' HD21 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -56.86 -35.82 69.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.245 -179.961 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.25 -32.44 55.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.721 ' HB3' HD11 ' A' ' 70' ' ' LEU . 5.7 mm-40 -76.16 -28.42 57.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.538 HD21 ' HA ' ' A' ' 91' ' ' ASP . 4.1 pp -91.07 -23.16 20.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.996 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.436 ' NH1' ' O ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.53 -55.92 21.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 9.5 mm-40 -55.34 -36.19 66.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ttm-85 -68.17 -48.42 65.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.6 m -67.62 -50.16 59.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.77 -15.26 52.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 5.7 tt0 -89.17 -55.27 3.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.743 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -61.85 -38.93 90.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.576 HG12 ' N ' ' A' ' 23' ' ' ARG . 2.4 t -53.36 -74.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.576 ' N ' HG12 ' A' ' 22' ' ' VAL . 1.1 ttt180 -42.02 -33.2 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -70.61 -54.42 12.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 21' ' ' LEU . 90.9 t -47.79 -47.09 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -53.91 -61.75 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 m -60.42 -22.83 63.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.572 ' O ' HD23 ' A' ' 63' ' ' LEU . 1.2 p -73.41 -36.66 66.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.009 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.661 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 2.6 m -76.37 -51.68 11.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.417 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.48 -32.49 3.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.5 m -58.56 -34.1 70.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.388 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.781 HG11 ' HB1' ' A' ' 56' ' ' ALA . 13.2 t -65.3 -20.09 26.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.591 HD11 ' O ' ' A' ' 50' ' ' LEU . 54.9 mt -102.1 28.05 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 38.59 47.0 2.21 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -131.9 159.39 38.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 109.606 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.33 64.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -165.75 112.06 0.77 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -18.52 18.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -19.28 43.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.58 31.73 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -176.14 157.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.5 178.96 4.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.24 -28.24 21.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.3 p -115.0 41.22 2.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.424 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.48 157.26 34.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 111.68 3.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.454 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 8.8 p90 -58.67 -14.66 8.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.04 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.47 -10.05 59.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -95.72 -28.14 14.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.958 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.597 HD11 ' CD2' ' A' ' 52' ' ' PHE . 4.1 pp -79.72 -16.37 55.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.436 ' O ' HD12 ' A' ' 50' ' ' LEU . . . 93.76 115.92 2.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.661 ' CZ ' HG23 ' A' ' 29' ' ' THR . 0.1 OUTLIER -156.07 144.65 20.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.754 . . . . 0.0 111.032 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.543 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 65.5 m-20 -153.38 -175.16 5.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -59.31 -15.5 16.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.005 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.55 -58.0 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.781 ' HB1' HG11 ' A' ' 32' ' ' VAL . . . -66.21 -36.46 83.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.9 ' HB1' HG11 ' A' ' 77' ' ' VAL . . . -65.8 -37.04 85.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 t -75.17 -32.67 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -72.09 -24.91 61.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.481 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 10.4 tp -77.88 -57.78 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.842 HH21 ' HB3' ' A' ' 74' ' ' SER . 5.7 tmm_? -53.45 -22.96 8.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -83.22 -27.38 30.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 28' ' ' SER . 30.5 tp -89.1 -41.27 12.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.591 ' HB3' HD13 ' A' ' 72' ' ' LEU . 3.8 mt -50.97 -22.54 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 61' ' ' ARG . 3.2 m-80 -53.61 -32.58 51.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.69 18.73 6.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.485 ' CB ' HD21 ' A' ' 24' ' ' LEU . . . -115.96 -9.81 11.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.177 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.945 HG21 HD22 ' A' ' 90' ' ' LEU . 1.3 p -150.09 -45.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.421 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 123.83 -17.94 7.63 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.609 HD13 ' OE1' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -93.74 -169.31 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.779 . . . . 0.0 109.327 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.609 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -102.81 0.32 32.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.153 . . . . 0.0 110.303 179.957 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.806 HD11 HD21 ' A' ' 90' ' ' LEU . 0.3 OUTLIER 48.85 167.32 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.401 ' HG2' ' CB ' ' A' ' 76' ' ' LEU . 18.3 Cg_endo -74.99 148.66 35.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.809 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.842 ' HB3' HH21 ' A' ' 61' ' ' ARG . 26.8 p -81.49 -20.99 39.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.1 p -92.8 3.64 55.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.427 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.7 HD13 HD23 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -64.18 -59.92 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.9 HG11 ' HB1' ' A' ' 57' ' ' ALA . 2.6 p -39.48 -29.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.445 ' N ' ' C ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -94.93 -44.14 7.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.438 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 9.9 t0 -65.36 -19.8 66.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.718 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -102.7 110.38 63.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.562 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.462 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.02 -27.47 9.96 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.449 1.763 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 0.4 OUTLIER -147.13 170.92 16.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.47 -45.17 95.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.94 -29.77 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.462 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -73.63 -60.57 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.718 HG23 ' CG ' ' A' ' 80' ' ' HIS . 63.4 t -39.85 -49.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.413 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -45.87 -50.27 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -58.67 -68.43 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.3 OUTLIER -37.18 -33.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 0.74 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.945 HD22 HG21 ' A' ' 68' ' ' THR . 19.5 mt -85.28 -52.16 6.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.83 -33.75 57.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.88 72.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.609 ' OE1' HD13 ' A' ' 70' ' ' LEU . 21.9 tt0 -76.33 -24.4 54.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.606 HD11 HG22 ' A' ' 68' ' ' THR . 14.5 mt -90.01 -22.12 22.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.436 ' O ' ' NH1' ' A' ' 14' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.16 -73.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' GLU . 20.3 tp10 -42.75 -41.92 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.352 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.483 ' HD3' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -60.52 -51.17 70.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.6 m -64.44 -45.34 87.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.392 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.67 -23.69 65.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 16' ' ' GLU . 3.6 tt0 -80.76 -48.12 12.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.709 HD22 ' CD1' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -63.02 -57.05 11.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 21' ' ' LEU . 3.4 t -40.0 -57.52 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -56.61 -38.64 72.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.499 HD22 ' CB ' ' A' ' 67' ' ' ALA . 8.3 tt -67.6 -60.78 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.695 HG11 HG11 ' A' ' 86' ' ' VAL . 46.3 t -39.17 -64.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.7 -72.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 m -48.43 -51.75 25.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.432 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.1 t -46.17 -46.95 17.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.892 ' O ' HG12 ' A' ' 32' ' ' VAL . 1.3 m -63.53 -72.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.427 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.61 -46.6 5.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.468 HG23 ' OD1' ' A' ' 36' ' ' ASP . 9.1 m -51.33 -41.02 60.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.426 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.892 HG12 ' O ' ' A' ' 29' ' ' THR . 0.8 OUTLIER -57.41 -25.39 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.867 HD13 HG13 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -98.09 32.3 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.02 22.11 5.99 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.597 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 3.5 m-70 -79.66 -101.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 0.0 109.614 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.597 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 6.4 m-20 90.17 42.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -164.04 86.26 1.2 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' VAL . 18.1 Cg_endo -75.03 -15.0 20.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.767 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 38' ' ' PRO . 29.4 pttt -40.29 -29.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' PRO . . . -114.69 54.19 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -160.05 150.37 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 -99.51 167.59 10.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.99 -7.22 52.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -130.54 32.27 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.383 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -89.82 160.82 40.28 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 107.95 2.6 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 1.017 ' CZ ' ' HB2' ' A' ' 83' ' ' ALA . 1.8 m-85 -68.33 -35.89 78.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -19.19 7.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.77 -27.37 20.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.4 mt -50.34 -41.13 50.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 132.93 55.27 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.68 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 4.7 m-85 -119.73 152.1 37.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 0.781 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -157.38 -65.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 58' ' ' VAL . 49.5 m -146.05 -63.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.974 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 55' ' ' LEU . 9.2 mt -56.58 -51.96 66.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.465 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -65.76 -28.68 69.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.55 -32.28 60.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 54' ' ' SER . 3.1 t -84.0 -25.31 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.467 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . 1.5 ttt180 -75.57 -27.73 58.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.68 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 32.3 tp -75.5 -56.38 4.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 71' ' ' ARG . 6.1 ttm180 -46.65 -53.5 11.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -53.99 -23.59 13.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -89.91 -59.25 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.647 ' HB3' HD11 ' A' ' 72' ' ' LEU . 9.7 mt -48.75 -23.43 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 61' ' ' ARG . 0.8 OUTLIER -55.31 -29.68 58.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.59 3.05 26.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.499 ' CB ' HD22 ' A' ' 24' ' ' LEU . . . -122.23 2.92 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.953 ' CG2' HD21 ' A' ' 72' ' ' LEU . 24.7 p -130.65 -68.02 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.37 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.93 -12.68 6.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 65' ' ' ASN . 0.5 OUTLIER -116.43 -170.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 179.941 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.5 ' O ' ' CD ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -88.39 4.95 44.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.306 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.953 HD21 ' CG2' ' A' ' 68' ' ' THR . 91.5 mt 55.9 162.12 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.076 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.556 ' CG ' ' CE1' ' A' ' 89' ' ' PHE . 18.1 Cg_endo -75.05 132.42 15.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.2 p -55.18 -22.09 16.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 78' ' ' PHE . 59.2 p -87.77 -1.37 57.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.822 ' CD1' HD13 ' A' ' 72' ' ' LEU . 4.5 tt -43.36 -57.33 3.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.693 ' O ' HG12 ' A' ' 77' ' ' VAL . 95.3 t -89.11 24.24 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -138.61 6.97 2.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -147.61 18.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.901 ' CB ' HG23 ' A' ' 86' ' ' VAL . 3.2 p-80 -119.99 105.3 42.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.593 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.95 21.46 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.454 1.766 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -162.14 -176.57 5.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 1.017 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . . . -81.82 -46.36 14.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -14.37 20.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.8 -40.58 12.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.901 HG23 ' CB ' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -58.41 -58.67 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.636 ' N ' HG12 ' A' ' 86' ' ' VAL . . . -46.29 -37.44 7.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.64 -40.91 96.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.785 ' CE2' HD23 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -61.35 -51.28 69.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 0.78 . . . . 0.0 110.998 -179.949 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.785 HD23 ' CE2' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -64.73 -48.43 74.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 95' ' ' GLY . 21.8 t70 -40.94 -57.47 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.68 -39.01 57.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 90' ' ' LEU . 3.7 tt0 -71.88 -25.53 61.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 mt -88.26 -22.59 23.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.88 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -38.92 -57.39 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -54.42 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 m -58.21 -39.32 78.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.37 -17.06 60.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.8 tt0 -82.48 -43.62 17.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.1 mm? -54.93 -46.48 74.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.521 ' CG2' ' CB ' ' A' ' 87' ' ' ALA . 2.6 t -61.27 -68.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.453 ' N ' HG12 ' A' ' 22' ' ' VAL . 2.3 mmt180 -47.23 -33.21 5.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.453 HD23 ' N ' ' A' ' 25' ' ' VAL . 2.1 tt -66.57 -49.77 65.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 21' ' ' LEU . 46.7 t -55.09 -34.85 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.902 HH21 ' CB ' ' A' ' 43' ' ' ALA . 78.9 mmt-85 -58.32 -63.34 1.31 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -66.64 -44.46 81.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 t -53.15 -42.22 65.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.818 ' O ' HG12 ' A' ' 32' ' ' VAL . 75.9 m -77.78 -57.19 3.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.02 -26.18 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.435 ' N ' ' C ' ' A' ' 29' ' ' THR . 89.1 m -83.81 -38.92 20.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.391 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.85 HG21 ' HB2' ' A' ' 60' ' ' LEU . 1.4 p -56.16 -25.91 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.851 HD11 ' O ' ' A' ' 51' ' ' GLY . 4.0 mm? -91.04 10.1 28.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 65.86 54.72 23.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -147.33 -177.22 5.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.585 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -161.25 70.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -169.8 111.78 0.48 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -12.05 21.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.07 -6.7 44.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.93 37.94 2.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -176.58 160.78 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.56 173.84 8.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.902 ' CB ' HH21 ' A' ' 26' ' ' ARG . . . -80.53 -31.61 36.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.482 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 2.4 p -112.42 40.47 2.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 0.0 110.363 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.43 152.46 37.8 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.443 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.45 ' HG2' ' CG ' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -74.97 120.04 5.91 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.536 1.809 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.626 ' HB3' ' CE1' ' A' ' 80' ' ' HIS . 25.7 p90 -48.66 -47.91 40.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.515 ' N ' ' CD2' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -47.74 -55.89 8.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.45 ' CG ' ' HG2' ' A' ' 46' ' ' PRO . 15.5 mm-40 -44.1 -39.71 4.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -93.16 45.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.851 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 38.58 92.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.721 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -162.59 124.9 2.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 110.976 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.638 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -170.55 126.74 0.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 58' ' ' VAL . 3.4 m 32.72 -88.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.638 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -34.5 -78.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.96 -36.11 59.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.82 ' HB1' ' HB ' ' A' ' 77' ' ' VAL . . . -60.02 -27.05 66.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 54' ' ' SER . 1.1 t -83.99 -57.61 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.434 ' N ' HG12 ' A' ' 58' ' ' VAL . 12.7 ttt180 -38.21 -30.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.85 ' HB2' HG21 ' A' ' 32' ' ' VAL . 1.8 tp -85.38 -50.72 7.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -49.21 -28.2 4.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.257 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.443 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -71.54 -33.08 68.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -87.63 -40.78 13.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.528 HD22 ' CD2' ' A' ' 90' ' ' LEU . 7.6 mt -50.18 -22.97 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -57.96 -20.48 38.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.03 -18.46 21.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.19 -42.95 99.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.464 ' HB ' HD23 ' A' ' 70' ' ' LEU . 3.0 p -111.68 -30.97 7.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.2 4.03 53.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.922 HD11 ' HG2' ' A' ' 93' ' ' GLU . 0.6 OUTLIER -125.49 -173.49 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.424 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 3.8 mtt180 -85.39 167.33 15.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.504 HD21 ' HG ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -153.15 162.79 25.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.944 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.987 ' O ' HD23 ' A' ' 76' ' ' LEU . 18.3 Cg_endo -75.0 142.29 27.67 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.495 ' OG ' HG22 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -75.58 -16.16 60.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.057 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 78' ' ' PHE . 67.1 p -89.71 -8.05 53.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.364 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.987 HD23 ' O ' ' A' ' 73' ' ' PRO . 1.4 pp -46.81 -42.01 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.82 ' HB ' ' HB1' ' A' ' 57' ' ' ALA . 20.6 t -87.08 38.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' THR . 2.8 t80 -138.74 -44.21 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.31 6.96 44.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.67 ' CD2' ' HA ' ' A' ' 77' ' ' VAL . 1.5 p80 -96.13 126.64 43.57 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.478 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.4 Cg_endo -75.04 -27.26 10.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.482 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -165.01 160.48 19.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' ALA . . . -46.84 -48.7 20.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -38.88 -29.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.99 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.478 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -77.5 -53.75 7.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 83' ' ' ALA . 55.0 t -42.32 -49.29 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.521 ' CB ' ' CG2' ' A' ' 22' ' ' VAL . . . -47.0 -42.26 17.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -67.27 -64.59 3.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -39.83 -30.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.75 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.528 ' CD2' HD22 ' A' ' 64' ' ' LEU . 6.7 mp -84.18 -46.79 11.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.761 ' HA ' HD23 ' A' ' 94' ' ' LEU . 2.1 t70 -61.44 -39.56 91.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.22 -28.28 61.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.922 ' HG2' HD11 ' A' ' 70' ' ' LEU . 10.9 tt0 -84.52 -23.98 29.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.761 HD23 ' HA ' ' A' ' 91' ' ' ASP . 0.3 OUTLIER -89.96 -26.38 20.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.993 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.852 HH21 HG21 ' A' ' 18' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.99 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -57.9 -33.25 68.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.661 HH21 ' HG ' ' A' ' 21' ' ' LEU . 2.2 tpt180 -59.36 -52.82 63.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.852 HG21 HH21 ' A' ' 14' ' ' ARG . 95.0 m -65.35 -48.24 73.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.85 -18.27 63.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 2.1 tp10 -89.95 -43.75 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.661 ' HG ' HH21 ' A' ' 17' ' ' ARG . 2.7 mt -65.82 -27.41 68.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.25 -64.12 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.604 ' CZ ' HG21 ' A' ' 27' ' ' THR . 4.1 tmt_? -54.78 -36.11 64.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.691 HD23 ' N ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -63.3 -53.34 54.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.932 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.752 HG22 HD21 ' A' ' 64' ' ' LEU . 2.1 t -51.42 -42.37 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.6 mtm105 -55.65 -60.6 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.604 HG21 ' CZ ' ' A' ' 23' ' ' ARG . 2.0 p -62.57 -49.14 76.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.437 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.609 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.4 t -47.9 -50.89 25.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.988 ' CG2' HD13 ' A' ' 50' ' ' LEU . 27.3 m -60.9 -61.69 2.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 110.442 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.93 -33.11 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 m -72.29 -38.88 68.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.639 HG13 ' HB3' ' A' ' 59' ' ' ARG . 53.3 t -56.22 -37.34 49.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.663 HD23 ' CE1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -90.07 13.76 14.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.23 -43.73 3.23 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.479 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.9 p80 -170.51 -173.02 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.777 . . . . 0.0 109.562 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER 157.2 -26.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 7.9 t0 81.61 125.29 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.05 19.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.441 1.758 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -73.42 -10.31 59.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.35 -19.94 18.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.423 HG12 ' H ' ' A' ' 43' ' ' ALA . 30.5 t -87.86 124.63 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.725 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 8.2 mtm180 -100.66 2.59 41.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 86.62 -44.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.458 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 1.2 p -82.4 8.69 10.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.409 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.952 HG23 ' H ' ' A' ' 47' ' ' PHE . 1.3 t -51.45 152.8 4.22 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.382 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.531 ' HD2' ' OG1' ' A' ' 45' ' ' THR . 18.4 Cg_endo -74.95 6.62 3.27 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.466 1.771 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.952 ' H ' HG23 ' A' ' 45' ' ' THR . 2.4 t80 63.95 -61.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 46' ' ' PRO . 7.3 mttt -42.08 -28.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -54.54 -31.23 56.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.988 HD13 ' CG2' ' A' ' 29' ' ' THR . 4.4 mt -68.77 -22.13 64.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.67 -0.01 76.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.11 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.663 ' CE1' HD23 ' A' ' 33' ' ' LEU . 1.9 m-85 -46.31 152.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -150.1 -83.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.4 m -126.36 -60.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.46 -53.06 61.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.612 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -60.03 -42.51 94.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.699 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -65.82 -23.92 66.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.17 -38.04 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.639 ' HB3' HG13 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -64.5 -38.54 91.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.513 ' HB2' HG21 ' A' ' 32' ' ' VAL . 5.7 tp -68.87 -30.47 68.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.457 ' NH1' ' O ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -70.15 -48.65 56.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -57.39 -27.11 62.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.42 ' C ' ' N ' ' A' ' 65' ' ' ASN . 0.2 OUTLIER -89.94 -59.72 2.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.355 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.069 HD22 HD21 ' A' ' 90' ' ' LEU . 13.7 mt -43.54 -27.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 69' ' ' GLY . 0.8 OUTLIER -53.1 -40.73 64.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -78.22 -20.45 51.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.585 ' HB1' ' CD2' ' A' ' 21' ' ' LEU . . . -73.42 -32.66 64.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.837 HG23 HD23 ' A' ' 90' ' ' LEU . 20.3 p -109.08 -61.12 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.442 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 134.55 -15.46 4.4 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.85 -169.92 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.562 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -87.33 1.06 54.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.34 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.931 HD13 ' CD1' ' A' ' 76' ' ' LEU . 13.1 mt 50.51 166.09 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.361 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 72' ' ' LEU . 18.1 Cg_endo -75.0 137.02 21.17 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.7 p -64.08 -16.42 61.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.514 ' CG2' ' HB2' ' A' ' 79' ' ' ASP . 0.9 OUTLIER -89.29 -8.2 53.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.931 ' CD1' HD13 ' A' ' 72' ' ' LEU . 9.0 tt -40.87 -54.14 2.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.792 ' O ' HG12 ' A' ' 77' ' ' VAL . 52.5 t -84.83 43.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.3 OUTLIER -150.02 -48.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.514 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 1.6 t70 -86.57 -0.82 56.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 1.5 p-80 -101.04 107.72 51.23 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.554 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -74.99 -31.2 6.41 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -143.33 175.25 10.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.94 -50.56 65.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.533 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 1.0 OUTLIER -41.23 -45.6 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.437 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -60.47 -59.51 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.493 ' CG1' HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -44.61 -43.41 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.961 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 84' ' ' SER . . . -49.13 -57.06 7.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.86 -56.8 18.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.22 -39.61 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.784 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.069 HD21 HD22 ' A' ' 64' ' ' LEU . 4.2 mp -70.65 -42.68 70.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.502 ' OD1' ' CG ' ' A' ' 14' ' ' ARG . 1.7 t70 -61.28 -46.77 88.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.39 -34.18 72.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -75.73 -25.57 56.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.535 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.7 mt -84.74 -26.69 27.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.404 ' N ' ' HG2' ' A' ' 4' ' ' MET . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -153.76 -52.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 110.033 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -59.0 -18.46 34.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.404 ' HG2' ' N ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -69.22 -6.25 27.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' MET . 0.5 OUTLIER -40.37 -63.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -45.98 -57.37 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.74 -43.05 3.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -67.43 -40.47 85.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 6' ' ' ARG . 4.2 mm? -56.47 -57.15 13.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.34 20.13 4.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -114.74 -16.21 7.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.477 1.11 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mt -71.5 155.51 92.54 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 162.86 36.43 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.479 1.779 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.426 ' HA ' ' NH1' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -53.02 -51.77 60.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.11 -76.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -39.73 -42.4 1.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' NH1' ' HA ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -59.15 -55.31 36.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.3 m -60.71 -46.73 89.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.381 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.32 -17.98 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -87.35 -56.73 3.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' CD2' HD23 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -57.93 -39.37 77.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.584 HG22 ' HB2' ' A' ' 87' ' ' ALA . 9.8 t -54.22 -62.19 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.89 -43.01 13.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 25' ' ' VAL . 1.4 tt -67.95 -49.87 59.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.472 ' N ' HD23 ' A' ' 24' ' ' LEU . 10.6 t -52.86 -45.66 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -56.2 -65.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -54.37 -46.04 72.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.2 t -58.74 -52.55 65.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.785 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 53.8 m -49.21 -57.4 6.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.436 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.64 -29.36 67.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -37.57 86.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.817 HG12 HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -57.42 -30.84 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.817 HD22 HG12 ' A' ' 32' ' ' VAL . 2.3 mm? -74.92 -15.44 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.31 44.17 5.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -160.21 138.72 10.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.626 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -99.14 66.65 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.416 ' OD2' ' HB2' ' A' ' 40' ' ' ALA . 10.3 t70 -133.04 100.99 13.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.483 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.1 Cg_endo -75.02 -14.49 21.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.77 . . . . 0.0 110.956 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -64.33 -12.53 43.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.416 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . . . -99.23 28.0 4.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 38' ' ' PRO . 2.8 p -163.73 148.15 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.623 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 13.6 mtp180 -138.11 23.11 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.366 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.673 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . . . 78.46 -54.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.473 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 6.4 m -93.31 39.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.762 HG21 HD21 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -95.98 159.47 32.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 109.87 3.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.89 ' HA ' HD12 ' A' ' 50' ' ' LEU . 6.7 p90 -58.85 -45.26 90.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.643 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 10.5 tptt -52.9 -41.42 64.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.54 -40.31 80.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.89 HD12 ' HA ' ' A' ' 47' ' ' PHE . 63.7 mt -49.6 -35.1 19.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.44 45.16 0.8 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.785 ' CZ ' HG23 ' A' ' 29' ' ' THR . 26.1 m-85 -111.17 134.89 52.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.746 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.18 -77.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 58' ' ' VAL . 12.2 m -129.45 -63.91 0.92 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.14 -54.32 45.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.96 -22.08 62.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.456 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -79.1 -28.65 43.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' SER . 0.9 OUTLIER -88.48 -42.21 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.465 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -50.05 -38.4 37.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.706 HD13 ' HA ' ' A' ' 29' ' ' THR . 2.8 tp -73.76 -50.0 22.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.649 ' HB2' HD21 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -56.65 -32.87 65.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -65.61 -43.35 89.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.68 -42.66 58.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.78 HD13 HD21 ' A' ' 90' ' ' LEU . 9.2 mt -57.73 -17.79 17.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -60.9 -35.31 76.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.37 13.33 11.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.76 0.45 9.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.841 HG21 ' HG ' ' A' ' 90' ' ' LEU . 4.5 p -140.62 -50.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.36 -19.65 8.07 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.559 HD12 ' H ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -107.73 -169.59 1.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 0.739 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -101.71 4.66 40.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.744 HD11 ' HB3' ' A' ' 64' ' ' LEU . 14.6 mt 55.74 159.78 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.719 ' O ' HD23 ' A' ' 76' ' ' LEU . 18.5 Cg_endo -74.9 143.09 28.98 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 111.035 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.0 m -63.2 -19.05 64.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.949 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.7 p -90.41 -7.41 53.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.725 ' CD1' HG23 ' A' ' 77' ' ' VAL . 1.3 pp -48.42 -44.18 34.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.776 ' O ' HG12 ' A' ' 77' ' ' VAL . 54.3 t -90.25 36.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.97 -43.87 0.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.57 -16.68 38.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.691 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -93.9 111.8 54.43 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.625 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -29.58 8.18 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.772 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.473 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 3.6 m-80 -146.87 173.75 12.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.673 ' HB3' ' HA ' ' A' ' 43' ' ' ALA . . . -60.02 -48.03 83.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.68 -32.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.19 -50.08 12.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.691 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 55.6 t -46.33 -47.74 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.584 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -48.78 -41.21 31.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -67.11 -66.92 2.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.06 -40.34 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.841 ' HG ' HG21 ' A' ' 68' ' ' THR . 6.7 mp -71.21 -43.1 68.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 88' ' ' GLY . 12.3 t0 -59.44 -48.69 80.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.2 -32.35 68.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HB3' HD21 ' A' ' 70' ' ' LEU . 5.6 mm-40 -77.63 -24.53 49.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.7 mt -86.62 -25.66 24.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p -134.35 166.81 21.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.969 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -107.28 -28.1 10.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.57 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -3.06 50.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.15 -26.42 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.681 ' O ' HD12 ' A' ' 9' ' ' LEU . 9.0 ptt180 -53.14 -20.27 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -70.55 -35.23 72.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -20.48 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 6' ' ' ARG . 12.3 mt -59.08 -16.8 21.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.42 63.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 132.78 -8.3 5.21 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.465 HD23 ' HG2' ' A' ' 16' ' ' GLU . 1.3 mp 37.95 71.75 0.99 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.562 0.801 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 179.04 6.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.545 1.813 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -44.69 -51.26 9.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 110.329 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.11 -53.22 10.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.548 ' CD ' HD23 ' A' ' 9' ' ' LEU . 19.0 tp10 -61.62 -54.14 46.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -24.87 42.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ARG . 93.0 m -88.48 -33.38 17.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.425 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.5 -38.83 48.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 21' ' ' LEU . 6.8 pt-20 -57.59 -32.99 67.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.702 HD21 ' CG2' ' A' ' 68' ' ' THR . 0.8 OUTLIER -75.56 -47.43 26.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.496 HG22 ' HB2' ' A' ' 87' ' ' ALA . 16.7 t -49.72 -65.91 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.09 -41.57 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.073 HD22 ' HB2' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -71.77 -44.7 63.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.47 HG12 ' HB1' ' A' ' 83' ' ' ALA . 43.7 t -62.88 -32.14 54.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.915 ' NH1' ' HB3' ' A' ' 83' ' ' ALA . 4.6 mtp85 -70.63 -56.34 6.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.467 ' O ' ' CB ' ' A' ' 31' ' ' THR . 8.2 m -68.65 -29.25 67.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.969 ' O ' HG23 ' A' ' 32' ' ' VAL . 16.1 t -66.13 -46.44 77.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.1 m -67.37 -59.02 3.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.63 -38.44 46.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' ' 27' ' ' THR . 2.5 m -62.36 -40.56 96.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.388 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 28' ' ' SER . 48.1 t -57.38 -17.88 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.591 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 1.2 mm? -103.43 28.41 6.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . 35.14 54.25 0.91 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 33' ' ' LEU . 57.9 m-70 -149.15 118.16 6.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.594 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.82 66.88 3.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -155.46 90.3 2.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.416 ' C ' ' N ' ' A' ' 40' ' ' ALA . 18.5 Cg_endo -74.96 -13.75 21.42 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.437 1.756 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.74 -25.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -87.78 43.32 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.838 ' CG1' HH21 ' A' ' 26' ' ' ARG . 47.3 t -154.82 150.75 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.482 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 12.7 mtt180 -138.13 38.59 2.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 26' ' ' ARG . . . 70.33 -58.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 42' ' ' ARG . 82.1 p -96.64 44.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.427 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -88.75 148.14 40.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 45' ' ' THR . 18.1 Cg_endo -75.03 109.74 2.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.545 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 2.4 p90 -58.67 -31.16 67.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.532 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 1.4 tmtt? -56.96 -33.29 66.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -76.44 -0.71 23.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.08 25.11 11.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.55 78.54 0.1 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.852 ' HD2' HG11 ' A' ' 77' ' ' VAL . 1.0 OUTLIER -144.96 145.44 31.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 111.04 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -157.45 -80.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -120.77 -64.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.964 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.09 -63.02 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.593 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -59.52 -33.67 71.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.381 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.446 ' HB1' ' HB ' ' A' ' 77' ' ' VAL . . . -67.83 -29.11 68.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.5 t -84.33 -34.03 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.429 ' HB3' HG13 ' A' ' 32' ' ' VAL . 1.3 ttt180 -62.16 -34.88 77.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' LEU . 30.9 tp -69.59 -61.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.15 -45.38 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -57.55 -41.37 80.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.453 HD22 ' OG ' ' A' ' 28' ' ' SER . 2.8 tt -73.41 -51.28 17.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.496 HD13 HD11 ' A' ' 90' ' ' LEU . 6.4 mt -46.53 -25.79 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 63' ' ' LEU . 4.4 t-20 -53.68 -29.03 36.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.83 -23.6 41.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 1.073 ' HB2' HD22 ' A' ' 24' ' ' LEU . . . -81.08 -27.95 35.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 1.089 HG21 HD22 ' A' ' 90' ' ' LEU . 2.2 p -130.78 -69.17 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.34 12.96 29.77 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.635 HD23 ' HB ' ' A' ' 68' ' ' THR . 1.9 pp -97.32 -171.9 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 72' ' ' LEU . 4.3 mtt180 -88.63 63.67 7.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.975 HD21 HD21 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -40.12 151.41 0.24 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.489 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.01 146.64 32.85 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.436 1.756 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -74.35 -21.99 59.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 78' ' ' PHE . 69.7 p -90.88 1.39 57.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.865 HD11 HG13 ' A' ' 86' ' ' VAL . 1.4 tp -38.43 -60.9 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.852 HG11 ' HD2' ' A' ' 52' ' ' PHE . 82.7 t -84.31 45.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.467 ' N ' ' O ' ' A' ' 75' ' ' THR . 1.1 t80 -153.11 -42.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -93.99 -11.58 30.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.691 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -100.88 131.46 23.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.574 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.464 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -74.98 -45.78 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.459 1.768 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.5 ' C ' ' CE1' ' A' ' 80' ' ' HIS . 0.5 OUTLIER -144.23 175.73 9.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.915 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . . . -57.95 -44.4 86.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.1 -37.51 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.038 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -76.92 -47.69 20.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.865 HG13 HD11 ' A' ' 76' ' ' LEU . 75.1 t -43.99 -43.41 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.496 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -50.75 -54.66 21.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.68 -65.48 3.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.489 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -39.78 -34.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 0.0 111.02 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.089 HD22 HG21 ' A' ' 68' ' ' THR . 22.9 mt -82.18 -50.72 8.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -53.21 -47.97 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.34 -37.05 71.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.75 -21.43 57.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.899 HD11 HG22 ' A' ' 68' ' ' THR . 29.9 mt -87.07 -26.91 23.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 O-C-N 124.455 1.097 . . . . 0.0 110.949 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.86 144.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 58.04 177.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.62 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 5' ' ' LEU . 15.5 mmt -75.7 54.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.848 HD22 ' N ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -56.77 -163.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.848 ' N ' HD22 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -69.36 58.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -40.9 -30.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -45.94 -27.77 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.473 ' O ' ' CD1' ' A' ' 12' ' ' LEU . 94.0 mt -54.1 -31.76 52.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.43 16.24 3.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 8' ' ' ARG . . . -135.76 19.86 3.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 9' ' ' LEU . 2.6 mt -74.24 156.85 87.23 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.753 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.37 12.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 18' ' ' THR . 2.4 ttt85 -43.68 -52.08 6.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 18' ' ' THR . . . -41.29 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' CB ' ' HB3' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -47.31 -40.39 16.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.839 ' O ' HD23 ' A' ' 21' ' ' LEU . 11.0 tpp85 -61.44 -32.58 72.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 14' ' ' ARG . 56.4 m -80.67 -41.1 24.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.33 -39.42 71.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -66.91 -38.71 86.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.839 HD23 ' O ' ' A' ' 17' ' ' ARG . 1.2 mm? -56.47 -46.62 80.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.541 HG22 ' HB2' ' A' ' 87' ' ' ALA . 21.8 t -62.97 -63.97 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -45.31 -36.1 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.266 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.424 HD23 ' C ' ' A' ' 24' ' ' LEU . 9.6 tt -70.65 -55.69 8.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.647 HG21 HG12 ' A' ' 86' ' ' VAL . 24.2 t -49.37 -55.04 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -43.71 -71.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.2 p -53.29 -49.71 66.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.612 ' O ' HG23 ' A' ' 32' ' ' VAL . 31.8 t -49.46 -45.57 46.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.486 HG22 HD22 ' A' ' 50' ' ' LEU . 23.5 m -64.38 -60.83 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.408 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.08 -35.52 47.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.6 m -58.79 -33.86 70.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.365 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 28' ' ' SER . 44.9 t -62.34 -33.88 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.554 HD11 ' O ' ' A' ' 50' ' ' LEU . 2.4 mm? -75.23 -13.25 60.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.68 49.79 4.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.11 169.7 20.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.629 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -139.28 58.49 1.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.35 79.3 66.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.42 18.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.16 -12.6 52.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.87 -6.25 17.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.4 t -109.96 138.73 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.75 173.66 6.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.422 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . . . -89.66 -20.61 23.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -111.59 35.38 3.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -100.78 147.89 34.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.383 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.5 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.1 Cg_endo -74.99 106.54 2.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.558 1.82 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.574 ' CE2' ' O ' ' A' ' 77' ' ' VAL . 18.1 p90 -48.77 -25.34 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -29.19 62.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -81.05 -10.54 59.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.554 ' O ' HD11 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -92.71 28.3 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 39.36 67.2 0.63 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.848 ' CE1' ' HB1' ' A' ' 56' ' ' ALA . 0.6 OUTLIER -125.06 148.99 48.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 0.767 . . . . 0.0 111.006 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -157.62 -85.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' VAL . 22.5 m -117.73 -64.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -63.98 0.96 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.848 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -54.54 -36.6 64.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.454 ' HB2' HG11 ' A' ' 77' ' ' VAL . . . -68.41 -25.79 65.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.7 t -81.81 -54.32 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.552 ' HB3' HG13 ' A' ' 32' ' ' VAL . 1.8 ttt180 -56.02 -23.99 36.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.628 HD12 ' CG2' ' A' ' 77' ' ' VAL . 0.3 OUTLIER -79.11 -62.11 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.68 -38.13 2.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -53.19 -53.23 53.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 1.6 tt -67.3 -36.61 81.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 3.5 mt -51.52 -45.17 62.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -59.55 -22.74 62.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 63' ' ' LEU . . . -86.05 -20.84 28.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . -65.76 -39.0 90.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.7 p -107.85 -41.21 5.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.383 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.78 2.23 39.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.623 HD11 ' HB3' ' A' ' 93' ' ' GLU . 0.8 OUTLIER -111.27 -168.09 1.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -101.39 107.5 18.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.735 HD23 ' HD2' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -107.32 169.18 7.0 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.735 ' HD2' HD23 ' A' ' 72' ' ' LEU . 18.2 Cg_endo -74.97 165.35 31.52 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.8 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.4 p -118.24 -1.4 11.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.8 p -90.14 -23.76 21.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.442 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.011 HD22 ' N ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -45.87 -35.49 4.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.011 ' N ' HD22 ' A' ' 76' ' ' LEU . 2.3 t -49.92 -22.57 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.403 ' N ' ' C ' ' A' ' 76' ' ' LEU . 9.2 t80 -105.41 -21.14 13.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -93.58 -3.85 51.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.88 ' ND1' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -108.29 121.02 44.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.621 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.47 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -75.0 -35.83 2.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.409 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -146.56 163.77 34.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' A' ' 43' ' ' ALA . . . -50.42 -46.15 56.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -39.31 -42.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.997 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.47 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -65.34 -54.9 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.88 HG23 ' ND1' ' A' ' 80' ' ' HIS . 6.8 t -45.77 -43.51 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.541 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -49.59 -51.5 36.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -59.02 -68.14 1.83 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.456 1.098 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.5 -32.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 86' ' ' VAL . 8.4 mp -85.91 -46.05 10.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.486 ' HA ' HD23 ' A' ' 94' ' ' LEU . 1.1 t70 -63.33 -19.71 64.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -90.29 -29.88 17.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.623 ' HB3' HD11 ' A' ' 70' ' ' LEU . 3.2 mm-40 -89.4 -18.87 25.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.708 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -87.23 -29.09 21.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.13 . . . . 0.0 110.989 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 p -175.32 172.89 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.978 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -120.77 -179.36 3.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.576 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.9 mmt -81.17 100.31 9.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 8' ' ' ARG . 55.3 mt -57.72 -58.58 7.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.974 ' HA ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -40.52 -56.84 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.668 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -47.04 -43.8 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -63.88 -42.89 97.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.974 HD12 ' HA ' ' A' ' 6' ' ' ARG . 4.7 mt -62.76 -14.36 44.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 7' ' ' ASP . . . -66.34 66.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 114.25 -5.38 23.45 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.443 HD23 ' CD ' ' A' ' 16' ' ' GLU . 1.5 mp 39.46 65.15 3.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.757 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 177.41 8.62 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.1 -50.39 1.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.56 -65.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLU . 9.1 tm-20 -53.94 -41.05 67.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -58.5 -51.87 68.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -63.5 -45.52 90.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.02 -22.48 64.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -75.1 -41.76 58.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.82 HD13 ' HB1' ' A' ' 67' ' ' ALA . 1.7 mm? -64.78 -35.05 79.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.041 HG13 HH21 ' A' ' 26' ' ' ARG . 16.9 t -73.69 -70.98 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.32 -29.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' A' ' 67' ' ' ALA . 19.7 tp -78.71 -50.39 11.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 21' ' ' LEU . 9.4 t -54.02 -45.42 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 1.041 HH21 HG13 ' A' ' 22' ' ' VAL . 2.5 ttm-85 -54.02 -61.53 2.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 m -57.08 -48.82 77.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.415 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.638 ' O ' HG23 ' A' ' 32' ' ' VAL . 19.6 m -52.79 -45.48 67.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.958 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.884 HG22 HD22 ' A' ' 50' ' ' LEU . 64.6 m -61.39 -70.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.421 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.4 -38.16 8.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.0 m -54.8 -34.28 62.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 28' ' ' SER . 58.4 t -61.95 -39.89 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.666 HD23 HD23 ' A' ' 50' ' ' LEU . 1.3 mm? -73.11 -19.88 61.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.45 47.89 2.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -149.81 167.22 27.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.593 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -141.33 65.35 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.66 65.37 46.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -19.33 17.96 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -23.36 67.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.5 3.38 54.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.0 t -122.08 128.59 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.449 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -80.07 -174.88 4.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 26' ' ' ARG . . . -92.68 -21.3 20.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -104.87 35.45 2.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.39 148.54 47.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.416 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.5 4.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.507 1.793 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -62.88 -34.71 77.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.44 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 9.1 tttt -56.99 -27.59 61.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -78.13 -2.95 39.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.223 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.884 HD22 HG22 ' A' ' 29' ' ' THR . 2.0 mp -104.77 31.08 4.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 34.61 72.65 0.1 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.69 ' CE2' HG23 ' A' ' 29' ' ' THR . 2.2 m-30 -117.94 131.3 56.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.652 ' H ' ' HB3' ' A' ' 56' ' ' ALA . 12.6 m-20 -145.25 175.57 10.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' ASP . 4.5 m -39.32 -29.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.043 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.45 ' N ' ' C ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -78.8 -62.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.652 ' HB3' ' H ' ' A' ' 53' ' ' ASP . . . -57.09 -40.66 77.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.71 -34.91 78.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.6 t -71.6 -41.37 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -25.22 56.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.501 HD23 ' CG2' ' A' ' 32' ' ' VAL . 0.4 OUTLIER -77.45 -55.4 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.55 -35.38 20.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -59.36 -35.66 74.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.19 -43.5 19.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.495 ' HG ' HD13 ' A' ' 60' ' ' LEU . 3.5 mt -49.54 -32.81 13.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 69' ' ' GLY . 18.0 m120 -53.42 -25.08 14.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.92 -25.88 43.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.82 ' HB1' HD13 ' A' ' 21' ' ' LEU . . . -82.43 -18.95 40.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.619 HG21 ' HG ' ' A' ' 90' ' ' LEU . 1.8 p -132.7 -74.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 105.84 12.88 25.08 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.553 HD11 HD23 ' A' ' 72' ' ' LEU . 4.0 pp -109.99 -164.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.504 ' N ' HD12 ' A' ' 70' ' ' LEU . 5.0 mmt85 -93.48 74.73 4.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.553 HD23 HD11 ' A' ' 70' ' ' LEU . 13.3 mt -53.38 160.38 1.83 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 151.23 39.36 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 m -79.88 -19.7 47.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 78' ' ' PHE . 39.5 p -90.44 -2.51 57.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.474 HD11 HD11 ' A' ' 90' ' ' LEU . 8.1 tt -40.96 -51.6 3.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.62 ' HA ' ' CD2' ' A' ' 80' ' ' HIS . 57.8 t -87.73 44.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.461 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -155.62 -41.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.28 3.1 53.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.62 ' CD2' ' HA ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -104.44 107.46 57.83 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.633 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -14.12 21.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -160.22 176.36 11.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.602 ' HB3' HH12 ' A' ' 26' ' ' ARG . . . -72.06 -49.39 36.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.97 -30.75 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.961 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.03 -51.74 29.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.479 HG12 HD22 ' A' ' 90' ' ' LEU . 54.0 t -53.29 -47.2 57.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.487 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -47.09 -45.08 21.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.68 -64.74 3.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.54 -34.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 0.737 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.619 ' HG ' HG21 ' A' ' 68' ' ' THR . 2.5 mp -78.86 -46.27 18.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -57.07 -47.17 81.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.33 -34.26 76.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.527 ' HB3' HD21 ' A' ' 70' ' ' LEU . 3.6 mm-40 -74.25 -25.83 59.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.41 HD11 HG22 ' A' ' 68' ' ' THR . 18.0 mt -88.75 -23.54 22.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 40.72 77.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 0.752 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -119.16 -64.67 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.629 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.03 62.34 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.95 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.517 HD12 ' H ' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -89.6 -129.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.517 ' H ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -88.29 17.12 5.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -87.09 -15.13 39.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.554 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -81.74 -51.34 8.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.665 HD22 ' H ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -64.99 -17.53 64.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.7 61.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 48.53 21.09 1.9 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 8' ' ' ARG . 5.4 mp 41.44 90.18 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.777 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 166.47 29.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.014 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -40.88 -47.39 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.288 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.03 -52.91 18.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -64.05 -37.07 86.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.6 tpp85 -59.7 -52.68 64.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 22' ' ' VAL . 32.4 m -63.74 -46.0 87.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.438 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.55 -26.06 66.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' GLU . 23.0 tt0 -76.37 -50.89 13.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.645 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.77 -42.16 92.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 18' ' ' THR . 7.2 t -50.32 -66.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 ttt85 -49.16 -32.79 10.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.607 HD13 ' CB ' ' A' ' 67' ' ' ALA . 0.8 OUTLIER -70.84 -57.28 4.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 21' ' ' LEU . 66.6 t -48.86 -37.18 8.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.438 ' NE ' ' O ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -63.44 -76.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.473 ' O ' ' CB ' ' A' ' 31' ' ' THR . 1.6 p -45.43 -46.41 13.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 31' ' ' THR . 88.5 p -51.08 -48.03 61.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.651 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 85.0 m -62.47 -65.78 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.427 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.83 -25.64 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.473 ' CB ' ' O ' ' A' ' 27' ' ' THR . 1.8 m -71.64 -33.62 69.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.376 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.756 HG12 HD22 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -62.99 -29.75 47.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.756 HD22 HG12 ' A' ' 32' ' ' VAL . 2.4 mm? -70.61 -26.27 63.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.86 28.97 6.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -136.84 150.84 48.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.592 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -126.27 55.8 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.57 84.21 51.57 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -21.4 15.94 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -43.03 -32.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.484 ' C ' HG23 ' A' ' 41' ' ' VAL . . . -104.58 52.32 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.484 HG23 ' C ' ' A' ' 40' ' ' ALA . 91.3 t -156.31 140.27 8.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.438 ' O ' ' NE ' ' A' ' 26' ' ' ARG . 28.4 mtt180 -106.02 -174.08 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.33 -22.2 16.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.8 p -116.14 36.56 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.385 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.426 HG23 ' HD2' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -92.57 142.64 26.07 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.448 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.3 Cg_endo -75.02 129.54 12.41 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.58 ' CE2' HG21 ' A' ' 29' ' ' THR . 3.8 m-85 -68.99 -24.39 64.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -19.82 27.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -99.81 -21.47 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 31.6 mt -67.29 -26.16 66.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.404 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 103.65 65.19 0.7 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.448 1.092 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.651 ' CZ ' HG23 ' A' ' 29' ' ' THR . 3.5 m-85 -128.79 148.53 50.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -146.81 -71.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.277 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.4 m -142.74 -59.01 0.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.45 -39.43 87.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 52' ' ' PHE . . . -72.39 -38.73 68.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.58 -39.22 84.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -72.79 -46.38 53.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.47 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . 5.1 mtp180 -57.88 -30.83 66.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.567 HD23 HG21 ' A' ' 77' ' ' VAL . 26.8 tp -70.49 -49.92 43.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.22 -38.17 85.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 58' ' ' VAL . 17.7 m120 -64.98 -32.03 73.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tt -84.87 -39.15 18.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.494 HD21 ' HA ' ' A' ' 25' ' ' VAL . 8.8 mt -57.9 -18.19 21.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -65.45 -18.32 65.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.07 -15.39 41.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.607 ' CB ' HD13 ' A' ' 24' ' ' LEU . . . -106.39 2.69 26.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.431 HG22 HD21 ' A' ' 21' ' ' LEU . 67.2 p -140.55 -72.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.412 ' N ' ' OG1' ' A' ' 68' ' ' THR . . . 105.01 11.56 29.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.695 HD23 HD21 ' A' ' 94' ' ' LEU . 3.5 pp -113.13 -165.6 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.54 77.9 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.629 HD21 HD23 ' A' ' 90' ' ' LEU . 32.4 mt -50.94 159.93 0.89 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.464 ' HD2' HD12 ' A' ' 76' ' ' LEU . 18.3 Cg_endo -74.94 145.99 32.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.6 p -71.76 -22.58 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.01 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.5 p -90.49 0.9 57.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.328 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.568 ' CD1' HD22 ' A' ' 72' ' ' LEU . 7.7 tt -47.61 -49.75 26.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.707 ' O ' HG12 ' A' ' 77' ' ' VAL . 71.1 t -89.89 20.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.56 5.45 3.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.74 16.56 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.548 ' ND1' ' CG2' ' A' ' 86' ' ' VAL . 0.2 OUTLIER -127.08 134.3 25.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.411 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.4 Cg_endo -74.99 -52.26 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.472 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -133.63 -174.26 3.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.248 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.78 -43.16 66.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.66 -34.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.411 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -78.91 -45.78 19.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.563 HG13 HD21 ' A' ' 76' ' ' LEU . 40.6 t -49.67 -46.53 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.1 -55.51 14.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 89' ' ' PHE . . . -50.38 -65.73 2.8 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.6 OUTLIER -37.33 -50.23 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 111.022 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.796 ' C ' HD13 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -64.06 -54.88 27.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.575 ' N ' HD13 ' A' ' 90' ' ' LEU . 9.0 t0 -46.13 -50.06 15.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.52 -36.81 74.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.494 ' OE1' ' CD1' ' A' ' 70' ' ' LEU . 2.4 tt0 -69.66 -27.93 65.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.699 HD12 HD11 ' A' ' 90' ' ' LEU . 34.4 mt -90.21 -21.84 21.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 p 170.64 -53.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 0.743 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -40.59 -61.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.596 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.1 mmt -81.06 100.14 8.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.4 OUTLIER -63.5 -63.81 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -42.35 -32.18 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.72 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -89.93 42.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 5' ' ' LEU . 4.0 mtp180 -81.59 -47.54 12.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.3 OUTLIER -69.69 -29.67 67.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.72 ' HB3' ' OD1' ' A' ' 7' ' ' ASP . . . -67.73 62.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 129.32 -2.26 6.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.483 HD22 ' OE2' ' A' ' 16' ' ' GLU . 1.3 mt 58.17 157.28 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 175.67 10.91 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.52 1.8 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.492 ' CG ' ' OD2' ' A' ' 91' ' ' ASP . 2.3 ttp180 -49.67 -44.45 47.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.33 -67.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.483 ' OE2' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -62.1 -41.32 98.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -52.27 46.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.2 m -70.1 -43.58 70.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.381 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.97 -23.67 66.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -82.27 -59.45 2.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.402 HD21 ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -53.44 -50.91 64.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.571 HG12 ' N ' ' A' ' 23' ' ' ARG . 2.6 t -41.4 -74.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.571 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -38.93 -41.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.626 HD21 ' CB ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -65.29 -55.29 19.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.45 ' N ' HD23 ' A' ' 24' ' ' LEU . 71.4 t -42.46 -64.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.642 HH21 ' HB ' ' A' ' 45' ' ' THR . 0.1 OUTLIER -44.1 -45.47 8.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.4 m -62.88 -51.76 65.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.633 ' O ' HG23 ' A' ' 32' ' ' VAL . 17.5 m -55.03 -39.55 69.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.958 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.544 HG23 HD22 ' A' ' 60' ' ' LEU . 2.2 m -60.82 -63.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.17 -38.45 52.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.5 m -57.26 -37.97 73.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 28' ' ' SER . 79.2 t -63.75 -27.12 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.725 HD13 ' O ' ' A' ' 50' ' ' LEU . 12.4 mt -103.01 33.12 3.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 40.4 45.9 3.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.565 1.166 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -135.82 124.78 24.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 109.636 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -114.72 49.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.88 75.56 75.89 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.51 20.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.448 1.762 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -71.95 -12.56 61.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.406 ' C ' HG23 ' A' ' 41' ' ' VAL . . . -112.46 28.37 8.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.406 HG23 ' C ' ' A' ' 40' ' ' ALA . 21.2 t -151.4 125.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.447 ' O ' ' NE ' ' A' ' 26' ' ' ARG . 1.0 OUTLIER -79.57 -176.03 5.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.11 -24.98 18.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 p -106.07 38.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.642 ' HB ' HH21 ' A' ' 26' ' ' ARG . 0.8 OUTLIER -89.34 144.07 31.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.419 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.467 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.1 Cg_endo -75.03 102.59 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.59 ' HA ' HD12 ' A' ' 50' ' ' LEU . 25.2 p90 -48.08 -35.54 11.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -53.56 -21.23 6.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -92.04 -22.42 19.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.725 ' O ' HD13 ' A' ' 33' ' ' LEU . 29.0 mt -65.51 -34.59 78.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.03 38.1 1.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.507 ' CE2' ' O ' ' A' ' 56' ' ' ALA . 2.5 m-85 -101.95 150.3 23.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -150.44 -77.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 58' ' ' VAL . 19.5 m -132.22 -64.12 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.47 -52.28 64.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.598 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -61.42 -37.36 83.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.455 ' HB1' ' HB ' ' A' ' 77' ' ' VAL . . . -69.21 -32.81 72.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.6 t -78.14 -28.24 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -36.51 70.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.544 HD22 HG23 ' A' ' 29' ' ' THR . 18.8 tp -65.49 -55.82 15.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 8.3 ttm180 -50.44 -46.45 56.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -60.68 -25.63 66.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.68 -37.47 16.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.421 ' HB2' HD13 ' A' ' 72' ' ' LEU . 3.4 mt -74.52 -3.78 32.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 69' ' ' GLY . 0.3 OUTLIER -68.28 -37.68 80.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.88 -6.96 57.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.626 ' CB ' HD21 ' A' ' 24' ' ' LEU . . . -87.62 -11.44 48.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.753 HG22 HD11 ' A' ' 94' ' ' LEU . 18.7 p -142.07 -50.43 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.401 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 122.38 -13.06 8.92 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.557 1.16 . . . . 0.0 110.956 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.465 HD23 ' HB ' ' A' ' 68' ' ' THR . 0.6 OUTLIER -98.78 -176.59 3.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.245 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.462 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -98.69 4.7 47.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.888 ' HG ' HD21 ' A' ' 90' ' ' LEU . 0.2 OUTLIER 54.05 167.26 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.552 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.0 142.89 28.39 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.2 p -64.45 -24.93 67.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 79' ' ' ASP . 58.1 p -90.85 2.97 55.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.395 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.822 HD13 ' CD2' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -40.47 -64.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.728 ' O ' HG12 ' A' ' 77' ' ' VAL . 74.2 t -87.45 25.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.1 OUTLIER -138.52 8.25 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.4 OUTLIER -152.15 20.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.658 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -127.82 131.75 23.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.6 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -39.72 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.44 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 0.1 OUTLIER -148.6 -174.01 4.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.461 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . . . -70.54 -44.24 67.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.675 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.9 OUTLIER -38.15 -61.34 0.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.022 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -53.11 -56.12 18.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.658 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 45.0 t -42.11 -39.2 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 84' ' ' SER . . . -53.41 -47.87 69.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -65.35 -58.31 9.74 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.552 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.8 OUTLIER -42.0 -32.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 110.964 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.888 HD21 ' HG ' ' A' ' 72' ' ' LEU . 6.0 mt -83.86 -54.23 5.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.492 ' OD2' ' CG ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -48.43 -49.34 35.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.36 -38.49 68.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.38 -26.02 62.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.753 HD11 HG22 ' A' ' 68' ' ' THR . 10.9 mt -86.43 -25.03 25.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m 70.69 61.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 0.798 . . . . 0.0 109.996 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -125.0 29.3 6.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.638 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.458 ' HE3' ' CB ' ' A' ' 7' ' ' ASP . 43.9 mmm -89.07 44.25 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.2 mt -85.66 -55.0 4.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.369 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.48 -57.96 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.53 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 15.4 t70 -41.11 -41.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -52.57 22.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' GLY . 6.1 mt -50.48 -22.95 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 7' ' ' ASP . . . -66.41 65.68 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 136.28 -8.73 4.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.049 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.451 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 17.6 mt 39.86 67.89 2.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -168.47 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.466 1.772 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.863 HH21 HH21 ' A' ' 17' ' ' ARG . 0.0 OUTLIER -51.11 -39.12 55.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.03 -72.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' HG3' ' CD2' ' A' ' 12' ' ' LEU . 5.8 tm-20 -51.29 -52.03 48.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.863 HH21 HH21 ' A' ' 14' ' ' ARG . 0.2 OUTLIER -48.61 -43.58 36.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.261 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.1 m -73.7 -38.32 64.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.5 -22.1 63.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' GLU . 3.5 tt0 -84.27 -45.92 12.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.447 ' O ' HG12 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -55.27 -57.61 11.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.568 ' CG2' ' HB2' ' A' ' 87' ' ' ALA . 2.9 t -57.04 -46.71 84.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -31.44 71.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.747 ' CD1' ' HB2' ' A' ' 67' ' ' ALA . 0.7 OUTLIER -77.57 -68.57 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.566 HG21 ' CG1' ' A' ' 86' ' ' VAL . 13.5 p -37.76 -54.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.682 HH22 HD11 ' A' ' 50' ' ' LEU . 4.3 tpt85 -54.99 -71.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.1 m -42.15 -40.61 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.407 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.926 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.2 t -62.89 -42.62 99.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.064 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.574 HG23 ' CE2' ' A' ' 52' ' ' PHE . 98.4 m -60.2 -69.5 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.372 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.424 ' HA ' HD23 ' A' ' 33' ' ' LEU . . . -49.49 -25.61 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 28' ' ' SER . 1.2 m -71.81 -33.35 68.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.926 HG23 ' O ' ' A' ' 28' ' ' SER . 11.3 t -70.62 -18.72 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.038 HD11 ' O ' ' A' ' 50' ' ' LEU . 4.4 mm? -74.27 -35.77 63.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.15 28.56 4.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -138.66 172.65 12.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.419 0.717 . . . . 0.0 109.602 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -140.6 77.73 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.63 85.71 2.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.406 ' C ' ' N ' ' A' ' 40' ' ' ALA . 18.2 Cg_endo -75.07 -19.57 17.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.44 1.758 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -48.13 -24.12 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 38' ' ' PRO . . . -101.23 47.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.525 HG11 ' CG ' ' A' ' 26' ' ' ARG . 74.0 t -136.98 146.14 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.68 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -118.67 -8.38 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 84.34 -50.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.474 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 19.5 p -89.65 40.36 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.393 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -95.3 145.68 29.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.384 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.496 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -74.96 101.52 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.936 ' HA ' HD12 ' A' ' 50' ' ' LEU . 9.6 p90 -47.16 -33.98 5.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.097 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -54.0 -23.52 13.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -89.64 -21.54 22.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.038 ' O ' HD11 ' A' ' 33' ' ' LEU . 17.7 mt -72.9 -4.79 34.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.35 60.79 3.64 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.574 ' CE2' HG23 ' A' ' 29' ' ' THR . 0.8 OUTLIER -115.51 129.08 56.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 0.801 . . . . 0.0 110.992 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 54' ' ' SER . 64.0 m-20 -133.75 174.17 10.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 53' ' ' ASP . 33.6 m -35.29 -35.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -69.42 -69.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.78 -41.26 70.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.644 ' HB1' ' CG1' ' A' ' 77' ' ' VAL . . . -59.92 -30.02 68.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.5 t -80.34 -50.38 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -60.24 -14.91 20.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.25 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.879 HD12 HG21 ' A' ' 32' ' ' VAL . 4.6 tp -86.87 -56.02 3.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.459 ' NH1' ' O ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -47.17 -42.16 19.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -67.86 -31.41 71.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.085 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.4 tt -81.67 -27.18 34.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -69.64 -28.38 65.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -57.38 -20.1 27.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.24 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.33 -20.57 23.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.747 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . . . -81.96 -29.44 32.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.827 HG22 HD11 ' A' ' 94' ' ' LEU . 1.1 p -116.27 -70.64 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.56 -0.96 10.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.457 HD11 ' HG2' ' A' ' 93' ' ' GLU . 3.4 pp -117.11 -174.47 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.1 103.49 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.652 HD11 ' HG ' ' A' ' 90' ' ' LEU . 29.9 mt -89.75 161.54 38.57 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.769 ' O ' HD23 ' A' ' 76' ' ' LEU . 18.3 Cg_endo -74.99 130.96 13.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.462 1.77 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.9 p -73.14 -10.83 60.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.023 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 79' ' ' ASP . 45.0 p -90.13 -7.37 53.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.406 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.769 HD23 ' O ' ' A' ' 73' ' ' PRO . 2.5 pp -57.19 -45.59 83.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.811 HG21 HD22 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -80.64 5.31 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -119.02 -13.71 9.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 75' ' ' THR . 13.8 t70 -114.66 -24.82 8.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.644 ' CE1' ' CG2' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -89.54 125.92 59.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.562 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -42.28 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.474 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -130.2 162.58 28.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -64.17 -40.11 95.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.01 -29.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -80.25 -50.86 9.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.644 ' CG2' ' CE1' ' A' ' 80' ' ' HIS . 79.5 t -42.54 -49.22 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.568 ' HB2' ' CG2' ' A' ' 22' ' ' VAL . . . -40.73 -57.0 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.24 -57.44 19.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.145 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.21 -33.52 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.652 ' HG ' HD11 ' A' ' 72' ' ' LEU . 9.4 mp -84.32 -50.51 7.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -52.85 -49.76 65.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.1 -27.56 69.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.565 ' OE1' HD23 ' A' ' 72' ' ' LEU . 2.9 tt0 -81.96 -23.92 35.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.827 HD11 HG22 ' A' ' 68' ' ' THR . 9.9 mt -87.98 -24.9 23.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.9 m -49.1 160.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 110.036 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -42.01 152.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.621 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.88 52.23 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.629 HD12 ' H ' ' A' ' 6' ' ' ARG . 0.9 OUTLIER -61.54 -144.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.629 ' H ' HD12 ' A' ' 5' ' ' LEU . 1.5 mpt_? -90.34 26.1 2.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.414 ' O ' ' CD ' ' A' ' 13' ' ' PRO . 2.2 m-20 -89.87 1.64 55.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -85.42 -59.42 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 11' ' ' GLY . 13.9 mt -51.67 -22.06 3.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.82 60.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 48.39 21.09 1.8 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.49 1.118 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mp 46.74 86.5 0.14 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.753 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.414 ' CD ' ' O ' ' A' ' 7' ' ' ASP . 18.3 Cg_endo -74.99 -168.87 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.479 1.779 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.56 -38.68 55.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.6 -70.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' GLU . 25.0 tp10 -43.24 -43.54 4.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.575 HH21 HD11 ' A' ' 21' ' ' LEU . 7.7 tpt180 -56.58 -55.41 34.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.402 ' OG1' ' CG ' ' A' ' 91' ' ' ASP . 18.7 m -55.76 -43.94 77.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.362 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.94 -16.92 61.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' GLU . 2.6 tt0 -85.55 -36.77 20.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.575 HD11 HH21 ' A' ' 17' ' ' ARG . 0.4 OUTLIER -75.72 -39.61 57.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.658 HG21 ' HA ' ' A' ' 84' ' ' SER . 0.3 OUTLIER -62.87 -43.81 99.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -42.81 76.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 tt -74.84 -39.45 61.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.504 HG11 ' CG1' ' A' ' 86' ' ' VAL . 3.4 t -62.48 -23.3 31.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.76 -47.11 15.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.1 m -68.82 -34.93 76.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.454 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.998 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -67.28 -53.83 26.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.018 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.6 m -48.75 -61.43 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.415 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.97 -36.94 68.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.8 m -65.39 -38.08 88.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.417 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.998 HG23 ' O ' ' A' ' 28' ' ' SER . 23.9 t -61.54 -41.83 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.043 HD11 HD13 ' A' ' 50' ' ' LEU . 14.6 mt -68.57 -22.41 64.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.17 42.37 3.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -139.42 125.98 20.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.63 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -102.29 64.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -153.86 93.85 2.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -22.46 14.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.777 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -17.52 62.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.19 30.34 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.3 p -171.23 151.76 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -116.1 177.45 4.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.01 -23.45 33.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 p -104.85 32.18 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.763 HG23 ' HD2' ' A' ' 46' ' ' PRO . 2.0 m -96.2 147.07 32.4 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.763 ' HD2' HG23 ' A' ' 45' ' ' THR . 18.2 Cg_endo -75.01 131.74 14.61 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.46 1.768 . . . . 0.0 110.956 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.636 ' CD1' ' N ' ' A' ' 48' ' ' LYS . 22.0 p90 -69.53 -47.35 64.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.636 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 9.2 tttt -57.91 -16.77 13.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.461 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . 5.3 tp10 -82.24 -38.17 24.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.339 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.043 HD13 HD11 ' A' ' 33' ' ' LEU . 4.6 pp -89.61 -11.65 42.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.624 ' O ' HD21 ' A' ' 33' ' ' LEU . . . 92.13 118.12 2.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.822 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -178.86 125.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 110.996 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 55' ' ' LEU . 15.0 m-20 -150.88 -177.01 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.634 ' O ' HG23 ' A' ' 58' ' ' VAL . 75.7 m -36.85 -32.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.049 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -71.05 -67.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.822 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -56.4 -41.78 76.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.49 ' HB2' ' HB ' ' A' ' 77' ' ' VAL . . . -61.72 -34.63 76.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 54' ' ' SER . 1.7 t -67.05 -52.21 46.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -28.71 66.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.535 ' HB2' HG21 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -77.44 -53.74 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.455 ' HD3' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -48.86 -35.62 15.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -58.97 -27.66 65.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.1 tt -90.26 -45.69 8.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.478 HD13 HD11 ' A' ' 90' ' ' LEU . 9.0 mt -48.81 -24.59 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -55.22 -27.78 48.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.8 -22.74 36.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.24 -26.24 30.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.669 HG21 HD11 ' A' ' 72' ' ' LEU . 8.1 p -123.89 -69.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.386 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.78 16.48 33.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.683 HD21 HD23 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -128.73 -177.47 4.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.93 94.71 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.669 HD11 HG21 ' A' ' 68' ' ' THR . 14.5 mt -81.93 160.99 62.22 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.778 ' O ' HD23 ' A' ' 76' ' ' LEU . 18.3 Cg_endo -74.95 124.14 8.43 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.483 1.781 . . . . 0.0 111.053 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.5 p -62.27 -13.43 28.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 78' ' ' PHE . 52.5 p -90.08 -9.38 48.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.778 HD23 ' O ' ' A' ' 73' ' ' PRO . 2.2 pp -45.56 -42.42 10.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.767 ' O ' HG12 ' A' ' 77' ' ' VAL . 78.1 t -89.58 39.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -153.61 -42.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.02 -11.95 48.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 1.025 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -97.39 111.98 59.86 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.598 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.454 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.02 -12.53 21.48 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.527 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 14.5 m-80 -163.47 160.58 23.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -51.99 -53.33 42.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.658 ' HA ' HG21 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -42.0 -27.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.009 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 82' ' ' ASN . . . -81.26 -47.14 13.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 1.025 HG23 ' CG ' ' A' ' 80' ' ' HIS . 1.0 OUTLIER -54.99 -52.08 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.59 ' HB2' HG23 ' A' ' 22' ' ' VAL . . . -42.7 -57.7 2.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.36 -59.51 8.27 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.04 -32.51 9.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.617 HD22 HD22 ' A' ' 72' ' ' LEU . 5.8 mt -80.19 -38.59 30.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.402 ' CG ' ' OG1' ' A' ' 18' ' ' THR . 4.8 t70 -65.85 -45.23 82.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.48 -36.0 81.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.67 -23.0 49.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.683 HD23 HD21 ' A' ' 70' ' ' LEU . 32.7 mt -82.71 -28.49 30.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.39 -72.65 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 0.798 . . . . 0.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.405 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER 173.62 -61.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.579 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.3 mmt -62.43 94.1 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 3' ' ' HIS . 1.3 mp -89.65 -52.87 4.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 9' ' ' LEU . 3.6 mmt85 -41.07 -54.62 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.514 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -42.45 -47.52 5.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.8 -41.66 57.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 6' ' ' ARG . 67.2 mt -54.02 -21.19 7.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 7' ' ' ASP . . . -84.18 18.2 2.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 12' ' ' LEU . . . -146.25 17.83 1.71 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.609 HD22 ' N ' ' A' ' 12' ' ' LEU . 1.6 mm? 39.16 71.67 1.1 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 178.24 7.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.54 1.81 . . . . 0.0 110.978 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -54.88 -45.71 74.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.69 -68.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' GLU . 30.3 tt0 -51.06 -43.66 61.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.0 tpp85 -56.67 -54.79 42.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.649 ' O ' HG23 ' A' ' 22' ' ' VAL . 19.8 m -64.62 -45.98 84.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.16 -20.97 66.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' GLU . 2.9 tt0 -83.61 -58.17 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.354 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -55.2 -38.45 68.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 18' ' ' THR . 8.0 t -52.87 -65.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mtm105 -45.17 -42.54 9.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tt -67.82 -41.23 83.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 21' ' ' LEU . 37.9 t -63.39 -55.99 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.405 ' HD3' ' N ' ' A' ' 43' ' ' ALA . 23.9 mtm180 -45.16 -53.77 7.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.9 m -68.87 -49.36 58.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.76 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.8 m -48.89 -54.28 16.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.05 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.788 HG21 ' CZ ' ' A' ' 47' ' ' PHE . 2.5 m -56.6 -59.0 5.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.74 -37.95 60.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.9 m -62.1 -40.75 96.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.38 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 28' ' ' SER . 62.7 t -55.51 -20.69 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.696 ' CD2' HD11 ' A' ' 50' ' ' LEU . 4.3 mm? -99.16 29.93 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.56 49.21 11.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -136.63 134.67 37.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 109.614 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.61 73.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.71 120.51 0.31 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.603 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.4 Cg_endo -74.98 -15.32 20.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.525 1.803 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -50.39 -22.8 2.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.64 34.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 38' ' ' PRO . 4.7 p -174.58 141.91 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.649 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -128.81 20.81 5.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 81.04 -52.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.6 p -93.94 42.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.19 144.94 29.61 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 102.5 1.6 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.498 1.789 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.788 ' CZ ' HG21 ' A' ' 29' ' ' THR . 3.2 m-85 -46.85 -48.83 20.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -51.98 7.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.59 -34.08 77.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.802 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -64.33 -30.4 71.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.406 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 98.45 105.39 2.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.541 ' CD1' HD21 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -156.95 136.35 12.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.983 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.772 ' H ' ' HB3' ' A' ' 56' ' ' ALA . 4.8 m-20 -134.79 170.17 16.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 53' ' ' ASP . 3.3 m -38.04 -30.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.036 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -78.6 -56.0 4.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.772 ' HB3' ' H ' ' A' ' 53' ' ' ASP . . . -62.17 -44.96 95.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.445 ' HB2' HG11 ' A' ' 77' ' ' VAL . . . -57.95 -35.86 71.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.401 ' O ' ' CG ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -68.83 -51.75 41.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.675 ' HB3' HG13 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -48.24 -43.25 32.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.673 HD22 HG23 ' A' ' 29' ' ' THR . 56.5 tp -63.14 -57.29 11.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.403 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -49.3 -38.72 28.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.482 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 2.7 m120 -68.27 -47.98 66.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -59.33 5.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 4.0 mt -52.21 -21.57 3.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 62' ' ' ASN . 8.3 t-20 -55.24 -28.6 54.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.44 11.6 21.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.04 3.67 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 1.075 HG21 HD21 ' A' ' 72' ' ' LEU . 32.4 p -133.88 -62.8 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.19 -5.06 10.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.473 HD11 ' OE2' ' A' ' 93' ' ' GLU . 0.4 OUTLIER -118.88 -170.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.747 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -92.45 4.47 53.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 1.075 HD21 HG21 ' A' ' 68' ' ' THR . 85.1 mt 56.32 158.16 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.94 12.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.1 p -59.22 -17.13 25.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 79' ' ' ASP . 67.8 p -90.43 -5.79 55.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.722 ' CD2' HG23 ' A' ' 77' ' ' VAL . 7.3 tt -45.89 -58.13 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.736 ' O ' HG12 ' A' ' 77' ' ' VAL . 44.9 t -90.33 23.28 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.17 7.97 2.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -151.95 20.35 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.657 ' CE1' ' CE2' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -128.9 129.2 23.44 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.608 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.472 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -75.01 -46.75 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.482 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 31.2 m-20 -136.15 -174.67 3.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.462 ' HB1' HG12 ' A' ' 25' ' ' VAL . . . -70.67 -45.17 65.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.57 -26.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.472 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -84.9 -43.81 13.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.485 HG23 ' CG ' ' A' ' 80' ' ' HIS . 20.5 t -50.1 -49.96 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -48.78 -52.44 23.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.26 -58.27 11.28 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -37.56 44.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.053 HD22 HD22 ' A' ' 72' ' ' LEU . 27.9 mt -76.39 -37.08 57.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -68.1 -46.24 71.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.17 77.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.473 ' OE2' HD11 ' A' ' 70' ' ' LEU . 1.6 tt0 -78.3 -21.89 48.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.405 HD21 ' HA ' ' A' ' 68' ' ' THR . 15.8 mt -83.06 -28.87 29.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 3' ' ' HIS . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m 69.08 -67.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.982 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 1' ' ' GLY . 1.0 OUTLIER 72.31 -70.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.634 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.1 mmt -72.16 60.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.8 mt -87.38 -54.09 4.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -22.62 2.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.502 ' O ' ' CD ' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -89.94 42.53 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.445 ' CG ' ' HG3' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -87.92 -58.41 2.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.9 OUTLIER -57.13 -17.72 12.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.0 61.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 50.56 20.22 3.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 mp 50.17 91.67 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.512 0.772 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.502 ' CD ' ' O ' ' A' ' 7' ' ' ASP . 18.4 Cg_endo -75.02 166.94 28.13 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.781 . . . . 0.0 111.066 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' PRO . 17.2 ttt180 -38.88 -51.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.1 -45.26 3.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' PRO . 4.0 mm-40 -75.75 -38.53 58.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.514 ' NH2' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -61.57 -34.12 75.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.4 m -85.17 -43.67 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.9 -32.55 73.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 6.3 tt0 -68.55 -54.41 16.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.9 ' HA ' HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -58.73 -30.09 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.613 HG12 ' N ' ' A' ' 23' ' ' ARG . 2.7 t -59.21 -77.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.613 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -45.34 -26.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.941 HD21 ' HB1' ' A' ' 67' ' ' ALA . 0.1 OUTLIER -75.18 -54.45 7.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 21' ' ' LEU . 12.8 t -50.61 -29.15 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -65.14 -47.06 78.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.5 m -69.38 -48.3 61.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.73 ' O ' HG23 ' A' ' 32' ' ' VAL . 46.7 p -50.7 -46.0 58.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.019 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.554 HG22 HD13 ' A' ' 50' ' ' LEU . 27.1 m -63.47 -61.81 2.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.445 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.939 ' HB2' HG21 ' A' ' 41' ' ' VAL . . . -48.72 -32.67 8.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.9 m -67.2 -34.43 77.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.415 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.822 HG13 ' HB3' ' A' ' 59' ' ' ARG . 60.2 t -64.45 -34.18 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.358 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.715 HD21 ' HB3' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -78.15 -10.92 59.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.24 23.93 42.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' ASP . 22.9 m170 -87.43 -6.96 58.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.64 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' HIS . 11.4 m-20 38.96 76.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -172.64 83.75 0.43 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -19.85 17.4 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 110.954 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -74.13 -15.31 61.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.6 17.7 17.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.939 HG21 ' HB2' ' A' ' 30' ' ' ALA . 87.4 t -123.59 157.86 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.52 -177.76 4.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.441 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . . . -98.05 -26.3 14.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.8 p -115.91 45.31 1.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 110.398 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.786 HG23 ' HD2' ' A' ' 46' ' ' PRO . 2.0 m -110.8 147.16 35.91 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 0.0 110.401 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.786 ' HD2' HG23 ' A' ' 45' ' ' THR . 18.3 Cg_endo -74.99 98.2 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.458 1.767 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.507 ' HA ' HD12 ' A' ' 50' ' ' LEU . 5.2 p90 -48.4 -35.16 12.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.162 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.444 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.5 ttmt -49.33 -34.12 14.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -71.16 -33.35 69.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.715 ' HB3' HD21 ' A' ' 33' ' ' LEU . 53.4 mt -53.89 -36.13 62.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.352 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.04 58.34 0.42 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.429 1.081 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.439 ' HE2' HD22 ' A' ' 60' ' ' LEU . 2.4 m-30 -112.14 153.72 26.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -158.23 -76.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 58' ' ' VAL . 14.8 m -132.8 -61.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -55.79 29.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.535 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -65.06 -27.63 68.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.626 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -75.52 -28.58 59.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' SER . 3.6 t -89.21 -26.37 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.822 ' HB3' HG13 ' A' ' 32' ' ' VAL . 5.2 mtt180 -64.09 -42.59 96.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.638 ' HB2' HG21 ' A' ' 32' ' ' VAL . 48.5 tp -66.65 -59.08 3.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 5.9 tmm_? -50.09 -25.75 3.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -77.24 -45.61 25.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.522 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -71.79 -46.71 57.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.664 HD21 ' OG ' ' A' ' 28' ' ' SER . 8.5 mt -57.33 -21.29 34.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -54.81 -18.92 5.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.46 -18.51 21.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.941 ' HB1' HD21 ' A' ' 24' ' ' LEU . . . -94.94 7.2 46.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.504 ' HA ' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -143.02 -71.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.423 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.89 -14.33 5.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.777 ' N ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -108.46 -170.99 1.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 0.754 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 14.0 mtt180 -98.25 3.41 48.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.847 HD21 ' HG ' ' A' ' 90' ' ' LEU . 12.5 mt 53.83 163.42 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.87 15.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.9 p -54.85 -23.16 17.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 78' ' ' PHE . 51.9 m -81.13 -11.77 59.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.418 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.758 ' CD1' HD22 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -39.85 -55.32 2.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.297 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.77 ' O ' HG12 ' A' ' 77' ' ' VAL . 54.2 t -84.7 44.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 75' ' ' THR . 2.4 t80 -154.21 -42.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.438 ' HB2' HG22 ' A' ' 75' ' ' THR . 1.3 t70 -94.03 -11.05 31.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.703 ' CG ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -98.98 109.67 54.81 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.575 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -44.37 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.474 1.776 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.572 ' O ' HG23 ' A' ' 86' ' ' VAL . 9.2 m-80 -133.0 -177.11 4.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 43' ' ' ALA . . . -70.04 -46.59 64.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.93 -38.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.66 -43.89 29.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.703 HG22 ' CG ' ' A' ' 80' ' ' HIS . 79.1 t -51.67 -44.97 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.595 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -46.63 -57.55 4.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -55.78 -65.3 3.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER -37.67 -38.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.989 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.847 ' HG ' HD21 ' A' ' 72' ' ' LEU . 6.3 mp -75.68 -50.37 15.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 88' ' ' GLY . 6.2 t0 -52.17 -43.71 64.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.38 83.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.99 -28.34 66.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.514 HD22 ' NH2' ' A' ' 17' ' ' ARG . 2.3 mt -90.15 -21.34 22.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.8 m -63.93 175.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -115.62 -69.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.651 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.68 98.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.909 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -81.62 -59.07 2.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.56 -47.23 28.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.92 -27.07 67.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 5' ' ' LEU . 4.0 ttp180 -70.84 -57.64 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.25 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.909 HD12 ' O ' ' A' ' 5' ' ' LEU . 1.3 mp -68.95 -21.88 64.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.85 72.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 153.66 -20.97 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.566 HD12 ' HD2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -175.59 152.97 1.4 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.439 0.729 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.566 ' HD2' HD12 ' A' ' 12' ' ' LEU . 18.3 Cg_endo -74.97 114.37 4.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -18.32 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.84 23.85 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -129.77 -43.92 1.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.615 ' NE ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -74.08 -33.53 63.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.408 ' OG1' ' OD1' ' A' ' 91' ' ' ASP . 26.3 m -86.88 -51.66 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.47 -17.23 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 2.0 tt0 -86.28 -63.39 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.808 HD21 ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -56.31 -34.85 66.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.541 HG22 ' HB2' ' A' ' 87' ' ' ALA . 18.2 t -64.93 -60.66 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -53.44 -19.83 4.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.344 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.607 HD21 ' CB ' ' A' ' 67' ' ' ALA . 2.8 tp -90.04 -53.73 4.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.85 HG21 ' CG1' ' A' ' 86' ' ' VAL . 0.3 OUTLIER -52.78 -38.1 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -65.59 -45.07 84.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.475 ' O ' ' CB ' ' A' ' 31' ' ' THR . 92.5 m -69.86 -35.06 74.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.771 ' O ' HG12 ' A' ' 32' ' ' VAL . 66.8 m -68.05 -49.67 59.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.842 ' O ' HD12 ' A' ' 33' ' ' LEU . 23.6 m -61.19 -35.48 77.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.417 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 35' ' ' HIS . . . -80.61 -36.49 32.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.475 ' CB ' ' O ' ' A' ' 27' ' ' THR . 3.2 m -68.16 -53.93 21.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.368 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.771 HG12 ' O ' ' A' ' 28' ' ' SER . 7.7 p -48.32 -36.63 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.842 HD12 ' O ' ' A' ' 29' ' ' THR . 0.7 OUTLIER -90.92 34.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' THR . . . 43.18 55.99 4.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.505 ' CB ' ' O ' ' A' ' 30' ' ' ALA . 0.9 OUTLIER -133.21 128.23 35.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 0.791 . . . . 0.0 109.566 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -122.34 26.17 8.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.26 78.88 44.27 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.427 ' HA ' ' HB ' ' A' ' 41' ' ' VAL . 18.2 Cg_endo -74.95 -18.77 18.59 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.08 -29.69 67.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.35 14.78 25.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.427 ' HB ' ' HA ' ' A' ' 38' ' ' PRO . 18.3 t -117.79 149.49 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -125.08 169.77 11.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.403 ' O ' ' OG ' ' A' ' 84' ' ' SER . . . -77.3 -34.28 55.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.472 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 10.9 p -99.71 36.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.61 151.05 49.84 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.438 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 124.94 8.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 80' ' ' HIS . 18.1 p90 -78.59 -44.5 23.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.591 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 26.3 tttt -60.51 -16.51 37.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.429 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -75.51 -32.91 60.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.577 HD13 HG22 ' A' ' 29' ' ' THR . 1.6 mt -69.6 -28.04 65.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.96 42.71 0.7 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.767 ' CZ ' HD13 ' A' ' 60' ' ' LEU . 1.6 m-85 -106.0 144.5 32.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -160.73 -78.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.524 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -116.85 -80.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.031 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.84 -66.1 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.441 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -55.77 -33.92 64.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.362 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 54' ' ' SER . . . -64.79 -32.25 73.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 54' ' ' SER . 0.4 OUTLIER -81.38 -39.08 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -57.21 -37.1 71.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.767 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 6.2 tp -64.07 -65.55 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.429 ' CD ' ' HB2' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -39.94 -41.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 58' ' ' VAL . 24.2 m120 -58.69 -48.43 81.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 60' ' ' LEU . 2.0 tt -73.98 -46.77 41.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.785 HD12 HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -46.62 -33.39 4.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' GLY . 29.8 m120 -52.12 -32.26 34.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.09 -23.88 47.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.607 ' CB ' HD21 ' A' ' 24' ' ' LEU . . . -80.7 -19.33 45.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.859 HG21 HD12 ' A' ' 90' ' ' LEU . 34.7 p -143.01 -68.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 110.4 7.59 26.11 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.834 HD22 ' HG2' ' A' ' 93' ' ' GLU . 4.6 pp -96.24 178.44 5.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.767 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -87.67 79.71 8.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 1.044 HD23 HD13 ' A' ' 76' ' ' LEU . 1.5 mp -50.77 152.69 3.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.577 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -74.99 147.28 33.75 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -72.85 -20.94 61.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 78' ' ' PHE . 50.0 p -86.38 -7.42 58.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.044 HD13 HD23 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -40.0 -58.8 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.959 HG23 HD23 ' A' ' 76' ' ' LEU . 70.0 t -83.38 45.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 75' ' ' THR . 2.0 t80 -153.75 -41.99 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.85 -16.0 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.885 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -93.32 114.58 63.23 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.62 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.2 2.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.472 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -141.12 177.58 7.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.788 ' HB1' ' CG1' ' A' ' 25' ' ' VAL . . . -59.99 -43.17 95.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.649 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -38.35 -66.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -47.36 -54.96 9.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.885 HG23 ' CG ' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -45.75 -38.78 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 84' ' ' SER . . . -59.21 -43.94 92.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -64.38 -63.34 4.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.577 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -39.44 -35.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 0.721 . . . . 0.0 110.978 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.859 HD12 HG21 ' A' ' 68' ' ' THR . 4.6 mm? -81.77 -52.47 7.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.408 ' OD1' ' OG1' ' A' ' 18' ' ' THR . 1.7 t70 -52.94 -49.25 66.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.57 -38.04 71.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.354 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.834 ' HG2' HD22 ' A' ' 70' ' ' LEU . 0.7 OUTLIER -79.49 -20.9 46.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.615 HD13 ' NE ' ' A' ' 17' ' ' ARG . 40.8 mt -80.61 -30.27 36.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.534 1.146 . . . . 0.0 111.025 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 m -82.35 111.68 18.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 0.0 109.978 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.2 m80 41.2 -156.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.607 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 11.8 mmt -88.67 53.94 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.5 tp -71.49 -40.66 70.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.66 -47.5 40.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.54 -35.73 68.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 12' ' ' LEU . 5.4 ttm-85 -79.39 -32.29 43.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.03 -52.48 65.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.23 18.39 6.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.19 19.79 2.11 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.589 1.181 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 8' ' ' ARG . 16.4 mt -41.56 101.37 0.24 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 176.96 9.21 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.92 -57.61 11.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 110.33 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.03 -64.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 20' ' ' GLU . 49.1 mm-40 -42.81 -48.99 5.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -42.55 97.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.472 ' O ' HG23 ' A' ' 22' ' ' VAL . 16.5 m -64.43 -42.25 96.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.91 -27.64 54.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.5 tt0 -70.43 -49.32 50.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.732 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -65.41 -43.7 89.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 18' ' ' THR . 2.7 t -50.53 -60.89 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -38.94 44.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.402 ' C ' ' N ' ' A' ' 26' ' ' ARG . 7.9 tt -68.25 -56.68 7.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 21' ' ' LEU . 67.4 t -45.49 -28.2 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.452 ' NH2' ' HA ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -70.43 -74.53 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.6 p -49.05 -58.2 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.882 ' O ' HG23 ' A' ' 32' ' ' VAL . 37.3 p -43.7 -52.21 6.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.658 HG23 ' CE2' ' A' ' 52' ' ' PHE . 3.3 m -53.61 -70.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.358 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.33 -38.75 9.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 28' ' ' SER . 2.1 m -61.31 -38.61 87.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.364 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 28' ' ' SER . 93.3 t -59.81 -38.38 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 50' ' ' LEU . 21.4 mt -66.47 -23.1 66.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.72 29.97 7.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -124.37 171.65 9.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 109.568 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -142.2 69.52 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -163.22 99.7 1.01 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -13.93 21.35 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.547 1.814 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -54.2 -24.21 17.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.472 ' C ' HG23 ' A' ' 41' ' ' VAL . . . -91.9 38.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.621 HG12 ' H ' ' A' ' 43' ' ' ALA . 93.7 t -155.61 135.98 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.545 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -118.92 26.74 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.621 ' H ' HG12 ' A' ' 41' ' ' VAL . . . 73.93 -57.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.49 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 1.4 m -96.08 42.17 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.94 159.31 54.75 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 106.4 2.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.494 1.786 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.7 ' HA ' HD12 ' A' ' 50' ' ' LEU . 7.3 p90 -56.9 -43.16 81.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.568 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 14.4 tttp -49.98 -36.63 28.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.32 -35.53 54.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.7 HD12 ' HA ' ' A' ' 47' ' ' PHE . 37.0 mt -52.74 -27.07 16.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.8 35.34 3.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.129 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.921 ' CE2' HD22 ' A' ' 60' ' ' LEU . 3.8 m-30 -111.42 139.15 47.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -157.25 -56.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 57' ' ' ALA . 73.2 m -142.99 -75.75 0.26 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.14 -55.63 3.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.837 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -59.1 -38.7 80.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.526 ' HB2' HG11 ' A' ' 77' ' ' VAL . . . -66.1 -29.68 70.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -76.76 -41.14 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.537 ' HB3' HG13 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -75.96 -31.81 59.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.921 HD22 ' CE2' ' A' ' 52' ' ' PHE . 5.6 tp -75.6 -28.08 58.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.936 ' NH2' HD13 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -74.07 -56.42 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -47.73 -27.97 2.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.345 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.2 OUTLIER -90.8 -60.68 1.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 68' ' ' THR . 8.7 mt -45.88 -30.68 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -60.13 -41.36 92.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -77.08 -2.86 36.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.728 ' O ' HD21 ' A' ' 21' ' ' LEU . . . -113.01 -4.35 13.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.977 HG21 ' CD1' ' A' ' 72' ' ' LEU . 20.0 p -118.35 -59.24 1.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.382 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.84 5.24 51.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.447 ' CD2' ' C ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -131.73 -169.36 2.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 0.758 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -112.2 79.06 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.977 ' CD1' HG21 ' A' ' 68' ' ' THR . 0.3 OUTLIER -50.03 166.85 0.26 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.624 ' O ' HD23 ' A' ' 76' ' ' LEU . 18.1 Cg_endo -75.04 125.69 9.46 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 97.7 p -53.89 -20.62 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.8 p -87.54 -5.5 58.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.889 HD21 ' NH1' ' A' ' 61' ' ' ARG . 2.3 pp -47.78 -42.98 27.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.755 ' O ' HG12 ' A' ' 77' ' ' VAL . 78.9 t -83.81 37.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -151.17 -40.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.4 -10.56 37.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.767 ' ND1' HG23 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -90.61 121.58 68.12 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.585 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -22.67 14.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.768 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.49 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -161.83 167.98 23.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.676 ' HB1' HG12 ' A' ' 25' ' ' VAL . . . -56.58 -48.31 77.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.58 -27.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.454 ' N ' ' C ' ' A' ' 83' ' ' ALA . . . -79.09 -53.1 7.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.767 HG23 ' ND1' ' A' ' 80' ' ' HIS . 27.4 t -42.55 -51.53 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.625 ' HA ' HD21 ' A' ' 90' ' ' LEU . . . -57.35 -40.33 77.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -57.56 -51.11 59.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.538 ' CE2' ' HG3' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -55.88 -58.45 7.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 111.001 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.709 ' HB3' HD11 ' A' ' 72' ' ' LEU . 1.4 pp -54.58 -48.52 72.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.456 ' N ' HD12 ' A' ' 90' ' ' LEU . 19.7 t0 -42.4 -56.6 2.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.6 -38.23 59.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.2 mt-10 -73.06 -23.96 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.786 HD21 ' O ' ' A' ' 68' ' ' THR . 51.4 mt -89.5 -24.1 21.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.145 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 t -171.27 72.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 109.961 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.0 m80 52.53 -170.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.585 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -86.39 48.03 1.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.676 HD13 ' O ' ' A' ' 5' ' ' LEU . 1.7 tm? -49.84 -40.74 43.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.06 40.61 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -64.36 -47.54 78.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -60.34 -20.89 61.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 11' ' ' GLY . 3.1 mm? -90.71 24.69 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.99 78.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 160.99 -25.68 0.27 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.24 91.03 4.27 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 160.43 40.31 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -39.31 -33.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.78 -58.55 6.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -61.39 -51.84 67.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -51.4 -55.6 17.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 m -62.09 -43.0 99.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.364 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.24 -19.25 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLU . 3.0 tt0 -89.13 -46.53 8.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.578 HD11 HG23 ' A' ' 68' ' ' THR . 0.8 OUTLIER -62.33 -39.81 94.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.442 ' C ' ' N ' ' A' ' 24' ' ' LEU . 25.5 t -65.84 -70.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -38.61 -30.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -72.78 -58.15 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.971 HG23 HD21 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -57.03 -28.52 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.529 ' NH1' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -67.38 -67.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.502 HG22 ' OD1' ' A' ' 36' ' ' ASP . 1.2 p -55.4 -40.89 71.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 32' ' ' VAL . 56.6 m -64.74 -40.17 94.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.45 ' HA ' HD13 ' A' ' 60' ' ' LEU . 1.9 m -61.67 -71.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.455 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.794 ' HA ' HD23 ' A' ' 33' ' ' LEU . . . -48.04 -32.3 6.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 27' ' ' THR . 1.3 m -60.63 -32.41 71.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 28' ' ' SER . 54.4 t -68.43 -12.86 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.032 HD21 ' CD1' ' A' ' 50' ' ' LEU . 1.9 mm? -100.9 -17.75 16.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.7 -39.68 2.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -86.45 149.88 24.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.607 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.502 ' OD1' HG22 ' A' ' 27' ' ' THR . 61.1 t0 -109.01 -30.18 8.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -49.17 106.24 0.6 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -25.36 11.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.31 -30.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.3 49.71 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.087 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -178.04 157.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.437 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -124.03 165.83 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.87 -35.95 62.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.475 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 2.1 m -101.35 36.67 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.459 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -90.94 146.73 34.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.387 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 45' ' ' THR . 18.2 Cg_endo -75.0 111.59 3.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.967 ' HA ' HD23 ' A' ' 50' ' ' LEU . 31.8 p90 -56.81 -37.59 71.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.505 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -57.36 -19.56 23.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -94.87 -33.61 12.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.032 ' CD1' HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -64.23 -28.05 69.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.51 44.65 0.89 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.772 ' CE1' HD11 ' A' ' 50' ' ' LEU . 2.3 m-30 -118.32 140.73 49.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 0.747 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -159.99 -78.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 58' ' ' VAL . 50.4 m -123.03 -73.72 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -44.32 -56.56 4.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 52' ' ' PHE . . . -63.11 -34.32 77.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.49 -29.49 69.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.3 t -76.9 -50.96 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.72 -35.15 65.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.618 HD22 ' HE2' ' A' ' 52' ' ' PHE . 10.1 tp -73.14 -53.36 11.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -47.04 -30.34 2.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -76.14 -36.67 58.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -78.95 -52.88 7.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.971 HD21 HG23 ' A' ' 25' ' ' VAL . 4.0 mt -50.91 -37.4 43.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.514 ' N ' ' NH2' ' A' ' 61' ' ' ARG . 1.4 m-20 -57.73 -20.04 31.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.69 -19.13 21.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.439 ' CB ' ' HG ' ' A' ' 24' ' ' LEU . . . -68.0 -24.94 65.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 1.055 HG21 HD11 ' A' ' 90' ' ' LEU . 1.9 p -127.76 -42.89 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.398 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.07 8.14 48.38 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.486 ' C ' HD12 ' A' ' 70' ' ' LEU . 1.4 pp -112.29 174.56 5.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -94.32 104.64 16.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 1.073 HD11 HD13 ' A' ' 90' ' ' LEU . 11.3 mt -85.29 166.7 29.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 72' ' ' LEU . 18.3 Cg_endo -74.98 146.59 32.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.6 p -70.36 -21.99 62.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 78' ' ' PHE . 80.8 p -77.07 -12.53 59.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.694 HD21 ' CG2' ' A' ' 86' ' ' VAL . 6.9 tt -39.85 -50.48 2.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.732 ' O ' HG12 ' A' ' 77' ' ' VAL . 73.1 t -86.25 43.16 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.509 ' N ' ' O ' ' A' ' 75' ' ' THR . 6.9 t80 -147.6 -44.5 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -90.52 -10.87 41.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -98.2 112.64 62.56 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.576 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.442 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -74.98 -31.35 6.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.475 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.5 OUTLIER -148.84 165.73 30.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 109.352 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.529 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . . . -53.43 -51.89 61.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -38.62 -32.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.442 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -86.66 -46.83 9.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.743 ' CG1' HG21 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -55.81 -42.58 70.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.418 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -49.95 -49.58 49.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -60.71 -67.77 1.98 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.7 OUTLIER -36.21 -33.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 111.03 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.073 HD13 HD11 ' A' ' 72' ' ' LEU . 2.1 tp -85.13 -50.92 7.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.841 ' HA ' HD23 ' A' ' 94' ' ' LEU . 4.4 t0 -58.83 -23.03 59.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -84.69 -32.48 23.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.32 -20.69 27.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.841 HD23 ' HA ' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -90.85 -27.14 19.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.363 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.2 OUTLIER 85.89 -74.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.976 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -163.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.59 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.29 30.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.722 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -49.73 -22.8 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.638 ' N ' HD22 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -90.51 32.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -90.49 38.52 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.19 -26.7 20.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.234 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.6 OUTLIER -59.72 -20.53 57.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.26 70.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.655 ' C ' HD23 ' A' ' 12' ' ' LEU . . . 121.22 -12.83 9.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.433 1.083 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.702 HD12 ' HE ' ' A' ' 17' ' ' ARG . 0.6 OUTLIER 38.65 88.48 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 168.73 24.18 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 18' ' ' THR . 3.7 ttp180 -38.89 -33.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 18' ' ' THR . . . -55.76 -76.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.99 -43.31 19.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.702 ' HE ' HD12 ' A' ' 12' ' ' LEU . 9.7 tpp85 -62.61 -29.78 70.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 15' ' ' ALA . 19.3 m -81.65 -38.84 25.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.416 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.92 -39.7 61.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 24' ' ' LEU . 6.4 pt-20 -64.21 -44.82 90.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.718 HD12 HD12 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -56.1 -41.91 75.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.542 HG22 ' HB2' ' A' ' 87' ' ' ALA . 42.9 t -67.61 -74.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 ptt85 -40.72 -35.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.506 HD23 ' C ' ' A' ' 24' ' ' LEU . 7.0 tt -75.28 -52.38 11.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 21' ' ' LEU . 3.0 t -52.69 -39.79 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.469 ' CZ ' HG13 ' A' ' 41' ' ' VAL . 1.4 mtp-105 -59.16 -76.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' ARG . 40.5 p -35.69 -65.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' THR . 5.9 t -37.48 -65.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.983 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.1 m -41.79 -66.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.448 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.84 -29.3 18.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -71.5 -36.66 71.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.394 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.78 HG21 ' HB2' ' A' ' 60' ' ' LEU . 85.4 t -60.59 -32.11 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 50' ' ' LEU . 3.1 mm? -76.72 -4.11 41.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.16 18.71 49.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 36' ' ' ASP . 6.2 m-70 -91.94 -11.33 36.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.572 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 35' ' ' HIS . 3.6 m-20 38.22 53.13 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.01 111.49 2.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.973 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.2 Cg_endo -75.01 -17.19 19.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' PRO . 2.8 mttt -39.66 -29.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' PRO . . . -91.85 50.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.973 HG12 ' O ' ' A' ' 38' ' ' PRO . 3.3 p -172.22 147.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.696 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -154.06 22.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 83.78 -49.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.445 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 2.3 p -100.2 28.33 5.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.341 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.784 HG23 ' HD2' ' A' ' 46' ' ' PRO . 1.9 m -92.31 147.17 34.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.362 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.784 ' HD2' HG23 ' A' ' 45' ' ' THR . 18.4 Cg_endo -74.93 121.94 6.92 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.602 ' CD1' ' N ' ' A' ' 48' ' ' LYS . 21.5 p90 -72.94 -45.96 55.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.602 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -53.08 -22.57 6.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.23 -38.15 63.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 46' ' ' PRO . 3.5 mp -59.96 -31.55 69.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.49 55.44 0.36 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.58 ' HE2' HD22 ' A' ' 60' ' ' LEU . 1.4 m-30 -116.72 142.05 47.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 0.789 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.98 -75.3 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 58' ' ' VAL . 68.9 m -130.26 -64.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.042 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -55.66 23.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.522 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -70.83 -23.25 62.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.48 -29.88 59.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 54' ' ' SER . 17.2 t -90.08 -27.08 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.545 ' HB3' HG13 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -65.09 -28.73 69.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.258 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.78 ' HB2' HG21 ' A' ' 32' ' ' VAL . 1.5 tp -89.46 -35.88 15.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.505 ' C ' ' CD ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -68.84 -29.53 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.293 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.439 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 1.1 m120 -80.7 -29.14 36.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 tt -84.04 -39.08 20.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 64' ' ' LEU . 10.0 mt -65.8 -13.2 59.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -58.76 -20.58 50.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.21 4.95 50.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -113.06 -13.02 13.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 1.037 HG21 HD21 ' A' ' 72' ' ' LEU . 6.8 p -123.8 -57.93 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 110.405 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 124.85 -14.68 7.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.88 -169.28 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 72' ' ' LEU . 1.6 ttt180 -90.16 4.35 50.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 1.037 HD21 HG21 ' A' ' 68' ' ' THR . 7.9 mt 54.5 163.84 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.563 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -75.0 144.61 30.43 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.781 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.4 p -75.55 -19.49 59.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.029 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 79' ' ' ASP . 10.9 p -89.8 -1.53 58.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.42 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.521 ' CD1' HD13 ' A' ' 72' ' ' LEU . 7.7 tt -47.54 -53.4 14.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.403 HG12 ' CE1' ' A' ' 47' ' ' PHE . 6.3 t -85.73 19.02 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -137.64 9.37 2.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.7 OUTLIER -137.42 -37.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.915 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -88.08 113.3 54.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.622 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -32.13 5.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 44' ' ' THR . 88.8 m-20 -141.0 145.22 35.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -39.29 -47.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.4 OUTLIER -37.82 -37.14 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.66 -50.35 12.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.915 HG23 ' CG ' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -48.01 -49.94 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.542 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -45.29 -57.16 4.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.51 -56.18 16.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.563 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 1.3 t80 -52.47 -33.55 45.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.718 HD12 HD12 ' A' ' 21' ' ' LEU . 4.0 mt -80.47 -39.9 27.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.2 -47.53 79.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.51 -31.03 69.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.406 ' CB ' ' O ' ' A' ' 89' ' ' PHE . 1.5 tt0 -77.32 -24.62 50.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.777 HD21 ' HA ' ' A' ' 68' ' ' THR . 10.0 mt -89.86 -23.87 21.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p -126.95 60.89 1.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.487 ' HB3' ' HE2' ' A' ' 4' ' ' MET . 0.2 OUTLIER -128.18 -53.69 1.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.547 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.487 ' HE2' ' HB3' ' A' ' 3' ' ' HIS . 0.6 OUTLIER -90.08 34.8 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 111.013 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.8 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -55.29 -19.23 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.593 ' N ' HD13 ' A' ' 5' ' ' LEU . 6.5 mmt180 -61.14 -47.75 84.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.94 -46.82 9.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.88 -58.72 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.446 HD12 HD23 ' A' ' 5' ' ' LEU . 12.8 mt -56.54 -38.39 71.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.81 14.32 4.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -136.89 26.01 3.03 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.1 mt -123.28 76.21 52.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.45 0.735 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 166.05 30.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -37.18 5.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.58 -61.21 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.25 -56.19 3.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.423 HH21 ' HB2' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.26 -53.43 58.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -54.31 -42.78 70.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.1 -18.22 60.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.09 -43.29 18.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.09 -48.24 82.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.506 HG22 ' HB2' ' A' ' 87' ' ' ALA . 24.5 t -59.75 -62.29 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -39.73 -43.78 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.449 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -65.59 -62.46 1.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.828 HG22 HD21 ' A' ' 64' ' ' LEU . 47.9 t -42.15 -43.67 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -53.91 -63.95 0.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.443 ' O ' ' CB ' ' A' ' 31' ' ' THR . 2.1 p -62.47 -49.59 74.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -52.93 -45.46 67.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.597 HG22 HD13 ' A' ' 50' ' ' LEU . 18.0 m -61.37 -67.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.87 -36.98 40.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 27' ' ' THR . 1.7 m -53.3 -34.94 59.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 28' ' ' SER . 78.0 t -66.56 -12.49 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.799 HD11 ' HB2' ' A' ' 50' ' ' LEU . 13.3 mt -103.33 16.54 26.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.74 46.13 24.64 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -138.81 121.99 16.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 109.593 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.48 67.73 7.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -150.74 97.89 3.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -19.1 18.14 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.543 1.812 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.07 -2.81 46.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.33 -16.25 33.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.4 t -124.39 138.87 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -97.6 178.1 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.07 -28.15 21.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.452 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -101.91 8.74 41.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.817 HG23 ' H ' ' A' ' 47' ' ' PHE . 1.7 t -45.78 148.4 1.36 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.531 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.02 5.05 4.22 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.801 . . . . 0.0 111.039 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.817 ' H ' HG23 ' A' ' 45' ' ' THR . 0.3 OUTLIER 65.61 -56.26 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.592 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 1.8 mmtt -58.61 -15.45 11.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.493 ' CG ' ' HG2' ' A' ' 46' ' ' PRO . 2.9 mm-40 -73.96 -32.58 63.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.799 ' HB2' HD11 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -89.33 25.02 2.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 36.77 88.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.102 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.747 ' HE2' HD22 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -128.38 125.73 39.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 0.758 . . . . 0.0 110.992 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' LEU . 8.1 p30 -134.18 177.71 7.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.471 ' O ' HG23 ' A' ' 58' ' ' VAL . 58.3 m -38.54 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -73.28 -67.35 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.579 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -56.77 -40.31 75.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.927 ' HB2' HG11 ' A' ' 77' ' ' VAL . . . -61.34 -32.39 72.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 54' ' ' SER . 2.2 t -77.93 -40.17 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -69.95 -22.89 63.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.271 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.747 HD22 ' HE2' ' A' ' 52' ' ' PHE . 52.6 tp -71.25 -69.38 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -36.76 -54.9 0.9 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -45.21 -52.72 9.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.417 ' C ' ' N ' ' A' ' 65' ' ' ASN . 0.2 OUTLIER -69.37 -48.07 62.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.828 HD21 HG22 ' A' ' 25' ' ' VAL . 3.2 mt -47.63 -24.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 63' ' ' LEU . 2.6 t-20 -56.81 -25.52 55.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.25 -17.69 48.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.449 ' HB2' ' HG ' ' A' ' 24' ' ' LEU . . . -87.22 -26.18 23.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.487 HG21 HD21 ' A' ' 72' ' ' LEU . 39.0 p -120.67 -66.69 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.46 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 104.73 10.45 32.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.4 pp -124.39 -179.71 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 0.0 109.301 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -79.83 87.17 5.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.681 HD21 ' HG ' ' A' ' 90' ' ' LEU . 22.0 mt -65.88 161.58 52.98 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.894 ' O ' HD22 ' A' ' 76' ' ' LEU . 18.1 Cg_endo -75.09 145.89 31.68 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.6 p -81.81 -8.02 59.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 78' ' ' PHE . 46.8 p -89.58 -13.83 36.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.894 HD22 ' O ' ' A' ' 73' ' ' PRO . 1.9 pt? -40.82 -50.67 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.927 HG11 ' HB2' ' A' ' 57' ' ' ALA . 36.5 t -85.35 43.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -152.65 -42.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.63 -12.39 27.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -100.22 108.92 54.81 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.621 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.0 -36.63 2.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.502 1.791 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -131.68 156.24 46.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -47.66 -53.47 14.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.51 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.8 OUTLIER -38.23 -48.6 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.412 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -57.97 -50.71 72.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.624 ' CG1' HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -53.7 -40.28 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 84' ' ' SER . . . -53.49 -48.11 69.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.85 -46.95 90.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.64 -34.37 62.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.681 ' HG ' HD21 ' A' ' 72' ' ' LEU . 9.1 mp -80.71 -40.67 24.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 95' ' ' GLY . 1.4 t70 -65.24 -46.3 81.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.82 -30.69 65.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -85.05 -20.84 29.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.423 ' HB2' HH21 ' A' ' 17' ' ' ARG . 48.7 mt -90.06 -22.16 21.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 76.47 113.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 4' ' ' MET . 0.2 OUTLIER -128.03 -82.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.633 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.47 ' CE ' ' HB3' ' A' ' 8' ' ' ARG . 1.1 ppp? -36.32 109.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.661 ' H ' HD12 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -91.62 -132.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -83.13 9.96 9.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.462 ' CG ' ' N ' ' A' ' 8' ' ' ARG . 6.4 p-10 -84.79 -50.41 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.47 ' HB3' ' CE ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -79.56 -39.54 31.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.7 mt -57.63 -19.74 28.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.21 17.98 2.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' LEU . . . -140.66 13.02 2.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.467 HD13 ' HG2' ' A' ' 16' ' ' GLU . 3.5 mm? 36.57 66.36 1.98 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.76 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 16' ' ' GLU . 18.3 Cg_endo -75.02 156.95 42.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.433 1.754 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.33 -28.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 13' ' ' PRO . . . -67.9 -51.06 52.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.467 ' HG2' HD13 ' A' ' 12' ' ' LEU . 5.4 tp10 -59.85 -61.37 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.418 ' NH2' ' HB3' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -48.63 -35.18 13.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.7 m -79.39 -35.6 40.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -73.02 -29.66 63.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.81 -48.03 34.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.901 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -59.13 -43.66 91.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.53 HG22 ' HB2' ' A' ' 87' ' ' ALA . 3.7 t -58.9 -66.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -39.41 -44.96 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.673 HD13 ' HB1' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -57.75 -53.45 58.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 21' ' ' LEU . 16.8 t -55.61 -57.27 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.228 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -42.51 -55.05 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 31' ' ' THR . 3.5 p -66.29 -53.65 34.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.772 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.6 t -46.82 -53.37 12.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.456 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 3.6 m -54.55 -71.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.404 ' HA ' HD23 ' A' ' 33' ' ' LEU . . . -45.98 -34.86 4.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 27' ' ' THR . 20.2 m -68.14 -38.41 82.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 28' ' ' SER . 55.2 t -59.65 -17.6 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 30' ' ' ALA . 2.9 mm? -90.1 -20.16 23.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.19 0.51 29.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -119.08 130.1 55.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 0.768 . . . . 0.0 109.625 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -103.72 71.19 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.23 106.48 3.36 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 41' ' ' VAL . 18.3 Cg_endo -74.98 -15.32 20.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -54.04 -20.29 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.27 23.72 7.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.656 HG12 ' H ' ' A' ' 43' ' ' ALA . 25.6 t -147.89 124.38 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.66 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.5 mtm180 -92.87 13.49 20.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 81.84 -51.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -96.45 43.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.43 160.42 30.6 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 123.76 8.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 5.5 p90 -74.1 -28.3 61.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -69.78 -16.59 63.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.53 -26.97 24.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.418 HD13 HG22 ' A' ' 29' ' ' THR . 37.9 mt -67.62 -31.09 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.74 41.59 1.56 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.44 1.088 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CE2' HD22 ' A' ' 60' ' ' LEU . 5.2 m-85 -95.57 141.53 28.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -149.38 -83.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.8 m -124.99 -63.93 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.0 -54.83 37.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.97 -30.51 68.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.883 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -68.0 -31.35 70.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.417 ' CG1' ' OD1' ' A' ' 62' ' ' ASN . 1.2 t -83.67 -54.14 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.63 -28.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.612 ' HB2' HG21 ' A' ' 32' ' ' VAL . 11.7 tp -86.49 -50.67 6.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.535 HH21 ' HA ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -59.38 -15.3 15.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.463 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 29.5 m120 -80.18 -38.72 30.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.441 HD22 ' OG ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -85.58 -51.96 6.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.708 ' CD1' HG11 ' A' ' 86' ' ' VAL . 12.3 mt -43.6 -57.81 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.679 ' N ' HD12 ' A' ' 72' ' ' LEU . 3.1 p30 -53.57 -39.44 64.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.466 ' N ' ' OD1' ' A' ' 65' ' ' ASN . . . -67.81 -9.6 45.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.673 ' HB1' HD13 ' A' ' 24' ' ' LEU . . . -107.45 24.02 13.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.936 ' O ' HD21 ' A' ' 94' ' ' LEU . 1.2 p -141.06 -44.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.392 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.71 -3.83 14.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 0.7 OUTLIER -119.62 -160.23 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.52 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -109.67 2.49 20.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.728 HD13 ' CD1' ' A' ' 76' ' ' LEU . 18.8 mt 53.24 163.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 156.18 42.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.477 1.778 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.535 ' HA ' HH21 ' A' ' 61' ' ' ARG . 10.1 t -79.3 -15.76 57.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.962 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 78' ' ' PHE . 77.1 p -90.33 -7.22 53.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.728 ' CD1' HD13 ' A' ' 72' ' ' LEU . 9.6 tt -39.69 -52.93 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.883 HG11 ' CB ' ' A' ' 57' ' ' ALA . 40.5 t -85.13 44.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.481 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -151.44 -41.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.47 8.07 45.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.603 ' CE1' ' HA ' ' A' ' 77' ' ' VAL . 3.7 p-80 -101.32 107.65 51.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.593 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.459 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.4 Cg_endo -75.02 -25.31 11.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -159.69 175.93 12.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 43' ' ' ALA . . . -66.16 -51.91 53.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.37 -27.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.459 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -78.0 -53.05 7.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.153 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.708 HG11 ' CD1' ' A' ' 64' ' ' LEU . 88.4 t -44.51 -50.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.53 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -43.94 -57.33 3.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.52 -55.86 20.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.21 -41.64 13.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.747 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.736 ' HG ' HG21 ' A' ' 68' ' ' THR . 10.8 mp -70.82 -44.69 66.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -61.38 -46.83 88.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.59 -36.86 74.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.47 -27.43 64.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.936 HD21 ' O ' ' A' ' 68' ' ' THR . 48.5 mt -87.71 -24.14 23.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.936 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.66 ' O ' HD23 ' A' ' 5' ' ' LEU . 7.1 t -134.37 -55.54 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 0.791 . . . . 0.0 109.985 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 46.61 -167.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.602 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.439 ' O ' ' N ' ' A' ' 7' ' ' ASP . 0.5 OUTLIER -80.33 52.2 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 2' ' ' SER . 0.2 OUTLIER -40.7 -43.96 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -47.0 87.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 4' ' ' MET . 0.5 OUTLIER -85.51 49.35 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.41 ' HD3' HD13 ' A' ' 5' ' ' LEU . 10.4 mtp180 -87.95 -39.55 14.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.628 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.6 OUTLIER -64.9 -17.22 64.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.414 ' HB2' ' OD1' ' A' ' 7' ' ' ASP . . . -44.79 86.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.628 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 44.25 25.56 0.77 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 11' ' ' GLY . 1.9 mp 40.96 90.61 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' ARG . 18.4 Cg_endo -74.96 176.35 10.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -38.09 -55.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' ARG . . . -40.4 -56.47 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -63.73 -40.86 97.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -57.94 -54.05 51.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.3 m -66.22 -46.98 75.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.14 -22.71 67.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 16' ' ' GLU . 12.1 tt0 -82.33 -43.28 17.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -30.84 68.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.52 HG22 ' HB2' ' A' ' 87' ' ' ALA . 2.9 t -64.09 -52.8 51.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -54.5 -39.25 67.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 tt -73.35 -45.48 54.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.785 HG22 HD21 ' A' ' 64' ' ' LEU . 2.2 t -49.31 -48.71 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.787 ' HG3' HG11 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -55.25 -62.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -52.65 -47.48 67.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 32' ' ' VAL . 22.7 p -54.31 -43.04 70.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.009 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.643 HG23 ' CE2' ' A' ' 52' ' ' PHE . 25.1 m -61.91 -65.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.417 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.96 -37.01 8.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.3 m -61.09 -37.33 82.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.696 HG21 ' HB2' ' A' ' 60' ' ' LEU . 53.3 t -65.12 -18.08 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.878 HD11 HD13 ' A' ' 50' ' ' LEU . 14.9 mt -104.65 29.58 6.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 39.84 46.39 3.05 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -159.64 133.8 7.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 0.796 . . . . 0.0 109.597 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.43 71.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -136.78 91.69 15.26 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' VAL . 18.5 Cg_endo -74.91 -17.2 19.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.041 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -20.64 6.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.48 27.51 4.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.787 HG11 ' HG3' ' A' ' 26' ' ' ARG . 49.1 t -137.69 144.44 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.694 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -125.47 9.1 7.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 83.66 -50.75 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.6 p -90.89 28.5 1.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 110.454 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -85.25 144.74 41.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.393 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.49 ' HG2' ' CB ' ' A' ' 49' ' ' GLU . 18.3 Cg_endo -75.02 137.92 22.31 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' A' ' 48' ' ' LYS . 27.8 p90 -69.78 -40.85 75.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.629 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -64.47 -10.94 28.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.49 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . 1.9 tp10 -87.93 -35.92 17.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.888 HD11 ' CD1' ' A' ' 52' ' ' PHE . 4.2 pp -85.07 -13.45 50.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.71 60.2 0.94 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.888 ' CD1' HD11 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -123.64 140.18 53.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -159.44 -81.2 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 58' ' ' VAL . 73.1 m -120.28 -68.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.003 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 mt -45.59 -53.71 8.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.821 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -63.32 -39.21 93.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.81 ' HB2' HG11 ' A' ' 77' ' ' VAL . . . -62.9 -37.41 86.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.1 t -67.85 -45.9 83.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.687 ' HB3' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -65.01 -29.22 70.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.696 ' HB2' HG21 ' A' ' 32' ' ' VAL . 7.0 tp -79.73 -40.7 28.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.39 -45.97 92.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -55.56 -38.59 69.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -78.55 -54.21 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.785 HD21 HG22 ' A' ' 25' ' ' VAL . 8.3 mt -49.55 -39.77 35.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -55.85 -27.26 50.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -85.69 9.75 15.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.11 27.08 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.597 ' HA ' HD21 ' A' ' 94' ' ' LEU . 7.0 p -148.73 -58.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.424 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 126.68 -14.97 6.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.452 HD11 ' OE1' ' A' ' 93' ' ' GLU . 0.6 OUTLIER -120.01 -170.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.515 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -92.45 2.87 56.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.647 HD12 ' HB3' ' A' ' 64' ' ' LEU . 13.3 mt 52.94 164.51 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.885 ' O ' HD12 ' A' ' 76' ' ' LEU . 18.4 Cg_endo -75.05 150.4 37.89 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.793 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.1 p -74.92 -23.71 58.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.3 p -92.0 3.22 55.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.428 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.935 HD13 ' H ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -57.69 -40.99 80.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.935 ' H ' HD13 ' A' ' 76' ' ' LEU . 1.6 t -84.86 4.35 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -109.8 -43.89 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.405 ' HB3' ' CE2' ' A' ' 89' ' ' PHE . 1.7 t70 -75.61 -28.76 59.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.823 ' CD2' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -92.01 112.3 54.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.617 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.455 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -74.96 -37.68 1.95 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.484 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -131.54 165.66 23.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.487 ' HB1' ' CG1' ' A' ' 25' ' ' VAL . . . -53.5 -55.52 24.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -37.8 -33.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.943 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 82' ' ' ASN . . . -75.29 -54.56 6.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.823 HG23 ' CD2' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -46.57 -42.44 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.52 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -49.65 -49.62 46.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -62.73 -61.64 6.3 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' A' ' 79' ' ' ASP . 0.7 OUTLIER -44.3 -37.58 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 110.952 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.734 ' CD2' HD22 ' A' ' 64' ' ' LEU . 8.9 mp -77.59 -44.58 27.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -58.44 -45.31 88.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.73 -36.25 76.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.452 ' OE1' HD11 ' A' ' 70' ' ' LEU . 1.6 mt-10 -75.03 -22.73 58.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.245 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.597 HD21 ' HA ' ' A' ' 68' ' ' THR . 4.1 mt -88.86 -25.02 22.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.934 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.416 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 1.4 m 79.08 147.21 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 0.78 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -74.16 -56.0 5.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.618 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.407 ' O ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -88.44 37.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -57.19 -161.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -67.9 66.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.9 p30 -38.67 -28.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -37.06 -30.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' ASP . 19.6 mt -47.07 -24.98 0.74 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 8' ' ' ARG . . . -84.39 26.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 8' ' ' ARG . . . -145.42 23.68 1.86 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.9 mt -82.06 155.38 69.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -173.2 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.519 1.799 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -61.28 -53.64 54.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.44 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.71 -37.81 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -53.35 52.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 22' ' ' VAL . 17.7 m -55.59 -46.52 77.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.5 -24.16 61.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -73.84 -40.89 62.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.533 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -75.74 -23.98 56.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.565 HG12 ' N ' ' A' ' 23' ' ' ARG . 2.3 t -60.91 -72.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.565 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -51.86 -29.53 19.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.609 HD11 ' CB ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -60.27 -52.82 63.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.821 HG11 HG11 ' A' ' 86' ' ' VAL . 79.0 t -56.62 -60.04 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -38.2 -50.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.568 HG23 ' HG3' ' A' ' 38' ' ' PRO . 2.9 m -66.17 -41.2 90.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.43 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 25' ' ' VAL . 1.2 m -65.45 -35.09 79.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.662 ' O ' HG12 ' A' ' 32' ' ' VAL . 1.7 m -64.26 -71.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.954 ' HB1' ' O ' ' A' ' 35' ' ' HIS . . . -44.45 -39.32 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.6 m -62.46 -39.02 92.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.351 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.856 HG13 HD13 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -59.82 -29.78 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.856 HD13 HG13 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -90.68 -20.34 22.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.558 ' O ' ' CG ' ' A' ' 35' ' ' HIS . . . 127.25 -49.65 0.92 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.954 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 75.6 m80 -160.54 -119.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 0.0 109.564 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 3.0 t0 85.81 -8.75 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.8 t0 61.14 121.01 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.568 ' HG3' HG23 ' A' ' 27' ' ' THR . 18.4 Cg_endo -75.0 -18.61 18.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -82.58 0.13 44.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.86 20.98 15.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.567 HG13 HG21 ' A' ' 45' ' ' THR . 41.2 t -135.7 140.23 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -73.17 -179.86 3.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.37 -21.58 19.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 p -113.28 37.56 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.363 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.567 HG21 HG13 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -89.2 157.24 48.16 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.382 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 131.18 13.98 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.45 1.763 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.682 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -82.6 -47.51 12.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -18.08 14.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.43 -32.81 58.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 47' ' ' PHE . 3.1 mt -66.65 -28.89 68.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.22 63.75 0.39 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.617 ' CE1' HG11 ' A' ' 32' ' ' VAL . 3.1 m-85 -113.42 132.49 55.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.637 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -170.59 122.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 58' ' ' VAL . 7.8 m 37.38 -87.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.637 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -43.54 -70.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.484 ' HB3' ' H ' ' A' ' 53' ' ' ASP . . . -58.15 -28.83 65.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.485 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -68.57 -28.72 67.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.9 t -91.06 -48.79 13.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.96 -37.51 9.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.507 HD22 ' HG ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -73.56 -64.09 1.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.46 -25.4 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.28 -41.8 63.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 60' ' ' LEU . 30.1 tp -76.92 -33.49 57.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.639 ' HB3' HD21 ' A' ' 90' ' ' LEU . 4.8 mt -69.15 -10.37 57.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.36 -9.64 59.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.33 -23.52 22.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.609 ' CB ' HD11 ' A' ' 24' ' ' LEU . . . -94.69 1.12 55.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.791 HG21 HD11 ' A' ' 72' ' ' LEU . 3.6 p -127.87 -60.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.35 22.77 56.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.43 -177.77 4.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 3.6 ptp180 -86.8 106.82 17.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.791 HD11 HG21 ' A' ' 68' ' ' THR . 28.1 mt -96.16 157.82 35.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 1.038 ' O ' HD12 ' A' ' 76' ' ' LEU . 18.3 Cg_endo -75.03 150.24 37.71 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.759 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.2 p -85.44 -17.32 36.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -84.67 -11.93 54.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.415 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.038 HD12 ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -51.16 -39.83 57.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.942 ' H ' HD13 ' A' ' 76' ' ' LEU . 2.7 t -62.48 -19.77 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.4 OUTLIER -113.25 -4.19 13.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.041 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 75' ' ' THR . 13.7 t0 -103.83 -17.95 14.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.653 ' NE2' ' CD2' ' A' ' 47' ' ' PHE . 4.1 p-80 -106.38 108.46 61.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.573 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.4 Cg_endo -75.03 -17.77 19.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.418 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 0.2 OUTLIER -156.1 157.9 36.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.402 ' C ' ' N ' ' A' ' 85' ' ' ALA . . . -50.33 -47.91 55.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.61 -25.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.423 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -87.49 -53.94 4.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.865 HG23 HD23 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -54.99 -41.88 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.47 -37.74 62.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -71.01 -61.62 3.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.02 -33.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.791 ' HG ' HG21 ' A' ' 68' ' ' THR . 8.8 mp -78.28 -43.1 28.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 88' ' ' GLY . 2.6 t70 -62.92 -46.62 86.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.76 71.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -75.74 -24.87 56.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.664 HD21 ' HA ' ' A' ' 68' ' ' THR . 8.0 mt -85.01 -26.64 26.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 111.017 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.29 -78.06 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 110.02 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 60.32 -165.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.624 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 30.4 mmt -85.42 45.13 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.976 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.793 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -61.24 -15.64 36.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.436 ' N ' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -67.78 -44.99 76.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.282 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -89.63 -11.64 41.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -41.59 11.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.814 HD12 ' N ' ' A' ' 10' ' ' ALA . 1.1 pp -54.0 -20.45 6.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.814 ' N ' HD12 ' A' ' 9' ' ' LEU . . . -72.72 10.68 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.503 ' H ' ' C ' ' A' ' 9' ' ' LEU . . . -143.0 16.17 2.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.564 ' H ' HD22 ' A' ' 12' ' ' LEU . 1.6 mm? 39.52 65.69 3.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -172.41 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.451 1.764 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -73.15 -32.14 64.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 19' ' ' ALA . . . -60.78 -53.9 51.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -64.78 -57.76 8.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -48.27 -35.42 12.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.405 ' CB ' ' O ' ' A' ' 14' ' ' ARG . 52.4 m -83.67 -37.28 23.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -66.45 -27.99 68.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.29 -39.28 33.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.445 HD23 HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -69.25 -31.04 69.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.493 HG22 ' HB2' ' A' ' 87' ' ' ALA . 2.7 t -65.35 -65.53 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -53.68 -19.93 4.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.684 HD23 ' C ' ' A' ' 24' ' ' LEU . 3.1 tt -82.09 -43.98 17.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.706 HG11 ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -70.28 -20.43 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.35 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.485 ' HG2' HG12 ' A' ' 41' ' ' VAL . 46.7 mtp180 -76.89 -47.65 20.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -77.85 -42.2 34.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.365 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.7 m -60.96 -34.02 74.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.642 ' CG2' ' CE2' ' A' ' 52' ' ' PHE . 3.3 m -71.26 -62.77 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.67 -30.3 3.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 43.0 m -64.28 -34.48 78.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.428 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.543 HG21 ' HB2' ' A' ' 60' ' ' LEU . 86.1 t -59.75 -37.31 70.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.778 HD21 ' O ' ' A' ' 50' ' ' LEU . 4.0 mt -67.68 -23.52 65.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.9 53.6 1.62 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.01 176.97 11.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 109.604 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -142.0 56.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.16 82.99 67.15 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' VAL . 18.4 Cg_endo -74.92 -19.64 17.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -51.74 -28.93 16.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.62 29.14 5.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.485 HG12 ' HG2' ' A' ' 26' ' ' ARG . 78.4 t -127.92 139.95 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 mtp85 -125.91 -174.96 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.54 -17.93 21.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.486 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 60.2 p -118.27 37.5 4.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.748 HG23 ' HD2' ' A' ' 46' ' ' PRO . 2.7 m -91.72 146.75 33.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.748 ' HD2' HG23 ' A' ' 45' ' ' THR . 18.2 Cg_endo -75.01 104.34 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.766 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 1.6 t80 -56.5 -46.85 80.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.38 -36.88 69.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 51' ' ' GLY . 3.4 mm-40 -65.45 -43.81 89.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.778 ' O ' HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -44.88 -26.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 49' ' ' GLU . . . 102.24 35.99 3.74 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.642 ' CE2' ' CG2' ' A' ' 29' ' ' THR . 29.3 m-85 -100.98 106.97 18.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.74 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' SER . 6.0 m-20 -95.28 178.77 5.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 53' ' ' ASP . 4.0 m -37.1 -37.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.48 -64.44 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.619 ' HB3' ' HA ' ' A' ' 52' ' ' PHE . . . -54.59 -42.23 70.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.413 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -58.74 -32.2 69.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 59' ' ' ARG . 0.9 OUTLIER -83.48 -57.46 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.475 ' N ' HG12 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -40.69 -35.22 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.766 HD22 ' CZ ' ' A' ' 47' ' ' PHE . 2.0 tp -77.48 -45.46 25.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -60.93 -25.7 66.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.271 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.451 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 13.1 m120 -78.11 -31.39 49.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.43 -46.69 10.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.603 HD11 ' CG2' ' A' ' 25' ' ' VAL . 8.1 mt -56.17 -18.74 10.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -59.0 -19.79 46.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.03 -18.39 21.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.75 -35.49 67.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.985 HG23 HD23 ' A' ' 90' ' ' LEU . 1.6 p -106.26 -31.78 8.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.59 11.62 68.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.511 HD21 ' HB3' ' A' ' 93' ' ' GLU . 1.6 pp -129.8 177.08 7.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 0.752 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -85.28 99.5 11.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.418 HD11 ' HG ' ' A' ' 90' ' ' LEU . 43.8 mt -78.53 159.93 73.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.898 ' O ' HD12 ' A' ' 76' ' ' LEU . 18.2 Cg_endo -74.98 147.01 33.41 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.53 1.805 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.8 p -75.44 -21.88 57.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 78' ' ' PHE . 70.8 p -90.65 -1.16 57.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.433 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.937 HD13 ' H ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -52.26 -40.47 61.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.937 ' H ' HD13 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -69.06 -19.95 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 75' ' ' THR . 1.2 m-85 -91.88 -51.38 5.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -59.34 -29.63 67.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.714 ' ND1' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -94.9 113.46 61.33 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.622 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -33.14 4.85 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.545 1.813 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.486 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -140.06 162.57 34.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 85' ' ' ALA . . . -52.17 -51.75 56.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -37.54 -31.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.953 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -83.79 -52.1 6.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.714 HG23 ' ND1' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -47.18 -41.83 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.493 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -53.43 -43.16 67.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.13 -59.35 7.52 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -44.3 -33.98 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 0.796 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.985 HD23 HG23 ' A' ' 68' ' ' THR . 3.3 mp -81.96 -47.78 12.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -55.32 -48.65 73.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.04 -38.44 70.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.511 ' HB3' HD21 ' A' ' 70' ' ' LEU . 25.4 mm-40 -70.87 -26.57 63.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.79 ' CD1' HG22 ' A' ' 68' ' ' THR . 2.7 mt -86.44 -24.91 25.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.11 . . . . 0.0 111.013 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -160.4 -177.06 5.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 0.757 . . . . 0.0 109.963 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -90.75 -92.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.596 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 54.9 tpp -82.83 100.32 10.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.46 -35.26 14.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -53.54 23.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.93 30.68 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -90.27 -32.55 16.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -88.94 -49.69 6.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.24 17.83 3.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -140.91 24.63 2.58 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.76 ' O ' HD12 ' A' ' 12' ' ' LEU . 1.5 pp -98.42 109.85 54.22 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -166.24 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.534 1.807 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -61.21 -32.52 72.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.73 -72.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 5.1 mm-40 -41.17 -45.35 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -61.53 -56.15 23.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.348 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 m -58.55 -47.69 83.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.367 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.54 -21.82 65.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 0.7 OUTLIER -78.5 -43.24 27.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.999 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -58.26 -46.46 85.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.343 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.543 HG22 ' HB2' ' A' ' 87' ' ' ALA . 54.9 t -58.87 -64.06 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -42.22 -29.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -87.01 -42.78 12.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.999 HG23 ' O ' ' A' ' 21' ' ' LEU . 96.7 t -53.96 -41.57 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.466 ' CG ' HG12 ' A' ' 41' ' ' VAL . 2.1 ttp180 -62.69 -72.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.4 m -49.18 -46.24 45.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 82.6 p -48.47 -42.66 33.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.984 ' O ' HG12 ' A' ' 32' ' ' VAL . 16.8 m -72.2 -64.76 0.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.723 ' HB1' ' CD2' ' A' ' 35' ' ' HIS . . . -47.47 -32.42 5.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.5 m -60.97 -34.63 75.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.4 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.984 HG12 ' O ' ' A' ' 29' ' ' THR . 3.4 p -70.6 -24.42 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.714 HD23 ' HA ' ' A' ' 30' ' ' ALA . 2.2 mm? -76.41 -34.83 58.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.71 -5.31 32.74 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.723 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -95.05 -17.1 22.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.618 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.521 ' C ' ' O ' ' A' ' 35' ' ' HIS . 10.0 t70 30.68 45.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.232 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 35' ' ' HIS . 76.1 m-20 -113.97 96.94 43.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.17 18.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.792 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -19.42 63.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.87 -4.72 27.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.568 HG21 ' HB2' ' A' ' 30' ' ' ALA . 94.3 t -117.24 142.96 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -117.96 175.51 5.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.471 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . . . -81.74 -22.99 36.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.474 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 8.1 p -115.26 35.32 4.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.8 150.84 37.19 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 110.396 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 101.86 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.616 ' HA ' HD12 ' A' ' 50' ' ' LEU . 6.0 p90 -56.67 -25.81 54.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -15.87 62.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -94.24 -23.23 17.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 47' ' ' PHE . 60.0 mt -67.36 -27.65 67.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.39 57.26 0.27 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.747 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 3.2 m-85 -123.77 147.57 47.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -148.57 -71.68 0.2 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.2 m -138.42 -66.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.2 -45.91 72.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.482 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -65.2 -39.57 93.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.83 -26.39 66.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -87.33 -54.95 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.51 -34.76 5.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.483 HD23 HG21 ' A' ' 77' ' ' VAL . 17.6 tp -68.5 -52.69 29.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -39.84 25.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -73.46 -25.85 60.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.6 tt -83.53 -30.51 27.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.472 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 6.4 mt -76.15 -19.81 58.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.07 -15.79 26.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.64 -17.52 20.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.71 -30.2 36.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.588 HG21 HD21 ' A' ' 72' ' ' LEU . 2.8 p -111.06 -51.53 2.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.1 16.45 50.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 93' ' ' GLU . 1.4 pp -131.46 -174.99 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.477 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 1.1 ptp180 -79.47 98.89 6.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.588 HD21 HG21 ' A' ' 68' ' ' THR . 34.8 mt -82.79 159.73 62.72 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.566 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.4 Cg_endo -75.01 144.69 30.52 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.0 t -78.58 -17.63 55.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.965 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 78' ' ' PHE . 7.8 p -89.66 -1.71 58.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.411 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.451 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 2.6 tt -39.22 -56.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.58 HG11 ' CD2' ' A' ' 52' ' ' PHE . 50.4 t -85.42 44.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.5 OUTLIER -156.09 -41.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.76 -11.0 37.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.554 ' C ' ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -90.7 139.66 26.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.603 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.814 ' HD2' ' HB3' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -74.98 -58.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.549 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 54.4 m-80 -128.45 -97.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' A' ' 43' ' ' ALA . . . -143.25 -31.27 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.34 -33.64 54.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.814 ' HB3' ' HD2' ' A' ' 81' ' ' PRO . . . -81.24 -41.77 21.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.637 HG12 HD11 ' A' ' 90' ' ' LEU . 95.0 t -48.61 -43.92 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.543 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -54.93 -51.85 64.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.37 -59.87 7.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -49.06 -38.63 24.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 111.06 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.637 HD11 HG12 ' A' ' 86' ' ' VAL . 8.8 mt -73.88 -37.53 64.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.77 -45.91 70.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.2 79.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.498 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 3.8 mm-40 -69.56 -28.09 65.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.519 HD21 ' O ' ' A' ' 68' ' ' THR . 13.2 mt -88.96 -22.75 22.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.508 1.13 . . . . 0.0 111.056 -179.979 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 p 179.12 -49.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 0.763 . . . . 0.0 109.944 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -105.49 -48.77 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.599 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.8 mmt -80.66 56.19 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mt -73.21 -49.24 29.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -38.84 -50.83 1.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.253 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 34.0 t70 -40.61 -52.28 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -48.57 -58.37 4.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.0 mt -54.13 -26.23 26.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 7' ' ' ASP . . . -82.47 13.57 3.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 8' ' ' ARG . . . -151.8 20.32 0.89 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 pp -43.57 102.62 0.29 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 14' ' ' ARG . 18.5 Cg_endo -74.94 163.16 35.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.792 HH21 ' C ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -37.92 -33.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.946 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' PRO . . . -56.25 -69.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -49.47 -55.31 13.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -37.69 62.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.468 ' CB ' ' O ' ' A' ' 14' ' ' ARG . 16.1 m -72.93 -37.47 67.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.428 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.71 -18.48 54.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -79.62 -49.63 11.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.602 HD13 HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -45.93 -52.69 11.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.953 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.029 HG13 HH21 ' A' ' 26' ' ' ARG . 12.9 t -57.41 -71.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.4 mtt85 -42.24 -27.69 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.934 HD21 ' HB1' ' A' ' 67' ' ' ALA . 1.1 tp -76.47 -58.44 3.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.75 HG11 HG11 ' A' ' 86' ' ' VAL . 57.3 t -42.53 -49.93 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 1.029 HH21 HG13 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -46.89 -62.74 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' ' 31' ' ' THR . 13.3 m -48.79 -35.32 14.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.415 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 t -68.32 -45.2 73.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.989 ' O ' HG12 ' A' ' 32' ' ' VAL . 18.9 m -55.53 -73.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.87 -31.09 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 27' ' ' THR . 3.2 m -73.17 -38.84 66.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.989 HG12 ' O ' ' A' ' 29' ' ' THR . 2.7 p -59.4 -22.19 22.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 50' ' ' LEU . 1.8 mt -90.46 -20.43 22.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.76 43.06 3.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -148.58 169.73 19.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 0.755 . . . . 0.0 109.623 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -127.8 75.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -141.2 80.1 17.14 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -18.26 18.77 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.85 10.21 27.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.22 -14.13 15.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.498 HG13 ' CG ' ' A' ' 26' ' ' ARG . 10.8 p -117.81 161.02 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.442 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 1.7 mtm180 -118.61 168.15 10.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.51 -16.39 56.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 p -116.26 29.88 7.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -110.84 141.48 24.23 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.433 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 45' ' ' THR . 18.4 Cg_endo -74.96 108.77 2.79 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.696 ' CD1' HG21 ' A' ' 29' ' ' THR . 8.7 m-30 -49.0 -20.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -71.6 -31.19 66.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -54.45 -19.09 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.554 ' CD1' ' HA ' ' A' ' 47' ' ' PHE . 1.4 mp -97.51 -17.48 19.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 52' ' ' PHE . . . 127.88 -44.22 1.25 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.787 ' CE2' HD22 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -35.76 135.15 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.997 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.616 ' O ' ' HB2' ' A' ' 57' ' ' ALA . 32.5 t0 -170.13 -56.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 57' ' ' ALA . 93.7 p -116.19 -84.4 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.983 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 55' ' ' LEU . 11.9 mt -41.71 -45.7 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.709 ' HB3' ' HA ' ' A' ' 52' ' ' PHE . . . -72.81 -36.55 67.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.957 ' HB1' HG21 ' A' ' 77' ' ' VAL . . . -62.5 -38.1 88.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.8 t -76.63 -32.81 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -83.02 -16.05 48.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 110.321 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.787 HD22 ' CE2' ' A' ' 52' ' ' PHE . 9.3 tp -78.58 -50.71 11.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.679 ' HD3' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -54.82 -59.04 5.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -44.97 -27.74 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.408 ' N ' ' C ' ' A' ' 61' ' ' ARG . 0.8 OUTLIER -90.42 -38.73 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.267 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 11.2 mt -74.45 -5.05 40.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -66.74 -38.6 86.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.57 -5.26 59.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.934 ' HB1' HD21 ' A' ' 24' ' ' LEU . . . -80.64 -30.93 36.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.583 HG21 HD22 ' A' ' 90' ' ' LEU . 1.2 p -115.66 -39.04 3.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.67 -4.36 24.55 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.867 HD11 ' HG2' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -119.35 -169.57 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.764 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.499 ' O ' ' O ' ' A' ' 72' ' ' LEU . 14.4 mtm180 -94.27 2.24 55.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.766 HD21 ' CD2' ' A' ' 90' ' ' LEU . 19.1 mt 52.87 165.01 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 72' ' ' LEU . 18.4 Cg_endo -75.02 133.28 16.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.454 ' HA ' HH21 ' A' ' 61' ' ' ARG . 57.0 p -56.13 -24.17 39.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.005 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 79' ' ' ASP . 60.7 p -90.52 1.81 56.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.422 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.071 HD23 HG13 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -40.01 -76.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.071 HG13 HD23 ' A' ' 76' ' ' LEU . 32.2 m -59.11 -16.72 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.436 ' CB ' ' HA ' ' A' ' 75' ' ' THR . 4.5 t80 -84.34 -10.39 57.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 75' ' ' THR . 10.5 t0 -127.07 -1.88 6.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.644 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -110.84 103.34 54.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.615 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -74.99 -51.0 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -122.07 167.51 13.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.594 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . . . -56.87 -55.55 33.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' ALA . 1.3 t -38.26 -41.48 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.473 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -68.53 -63.08 1.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.75 HG11 HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -41.53 -49.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.601 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -44.76 -55.35 5.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.09 -60.0 8.69 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.7 -34.26 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.766 ' CD2' HD21 ' A' ' 72' ' ' LEU . 75.7 mt -76.9 -38.66 53.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -68.39 -45.74 71.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.33 -36.63 80.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.867 ' HG2' HD11 ' A' ' 70' ' ' LEU . 1.2 tp10 -69.95 -27.91 65.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.8 mt -90.08 -21.81 22.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.792 ' C ' HH21 ' A' ' 14' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.445 1.091 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.512 ' N ' HD11 ' A' ' 12' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p -153.19 -178.47 6.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 66.7 -84.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.409 ' CB ' ' HB2' ' A' ' 7' ' ' ASP . 17.9 mmt -83.64 83.85 7.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 mp -50.01 -29.59 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -76.8 -50.43 13.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.409 ' HB2' ' CB ' ' A' ' 4' ' ' MET . 0.8 OUTLIER -89.47 44.0 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 1' ' ' GLY . 9.1 mtm180 -85.19 -40.04 17.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER -83.26 -23.81 32.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.15 68.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 145.91 -15.65 1.75 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.512 HD11 ' N ' ' A' ' 1' ' ' GLY . 0.5 OUTLIER -155.74 91.23 2.76 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -176.89 3.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.772 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -48.92 -37.05 18.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.57 -65.98 0.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLU . 5.9 mm-40 -38.71 -54.86 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -55.24 -54.77 39.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.402 ' OG1' ' OD1' ' A' ' 91' ' ' ASP . 36.8 m -56.59 -43.18 79.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.41 -13.65 60.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' GLU . 9.2 tt0 -87.33 -41.37 13.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.53 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -68.58 -38.67 80.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.0 t -54.46 -62.22 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.65 -41.7 22.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.521 HD21 ' HA ' ' A' ' 67' ' ' ALA . 6.1 tp -67.49 -52.56 37.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.555 HG21 HG12 ' A' ' 86' ' ' VAL . 31.3 t -46.81 -38.08 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -71.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 31' ' ' THR . 1.4 p -43.77 -43.29 6.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.34 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.443 ' HA ' HD21 ' A' ' 63' ' ' LEU . 3.5 m -59.45 -48.18 82.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.831 HG23 ' CE2' ' A' ' 52' ' ' PHE . 100.0 m -55.03 -59.36 4.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.686 ' HA ' HD12 ' A' ' 33' ' ' LEU . . . -60.91 -36.1 78.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 27' ' ' THR . 1.3 m -55.55 -38.57 69.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.587 HG22 ' HB3' ' A' ' 59' ' ' ARG . 6.6 t -60.83 -27.38 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.697 HD11 ' HB2' ' A' ' 50' ' ' LEU . 5.6 mt -86.09 -12.07 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.229 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.86 24.28 76.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.6 OUTLIER -85.41 -13.64 48.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.619 179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' HIS . 6.5 m-20 37.41 65.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -178.3 120.22 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.498 ' HA ' HG12 ' A' ' 41' ' ' VAL . 18.5 Cg_endo -74.98 -19.2 18.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.444 1.76 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -63.45 -16.52 60.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.85 27.46 5.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' A' ' 38' ' ' PRO . 7.1 p -168.03 158.24 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -138.44 175.26 9.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.17 -29.54 34.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.7 p -113.49 39.5 2.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.621 HG23 ' HD2' ' A' ' 46' ' ' PRO . 1.5 m -108.07 143.66 27.82 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.621 ' HD2' HG23 ' A' ' 45' ' ' THR . 18.3 Cg_endo -74.99 140.7 25.79 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.555 ' HA ' HD21 ' A' ' 50' ' ' LEU . 7.9 p90 -67.01 -33.1 74.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.536 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -70.12 -7.92 45.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' CG ' ' HG2' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -88.71 -33.74 17.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.697 ' HB2' HD11 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -90.92 -10.55 42.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.54 64.96 1.15 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.831 ' CE2' HG23 ' A' ' 29' ' ' THR . 1.4 m-30 -121.19 138.34 54.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.593 ' O ' ' HB2' ' A' ' 57' ' ' ALA . 5.3 m-20 -156.14 -86.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 57' ' ' ALA . 8.9 p -111.93 -79.73 0.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.961 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.43 -46.03 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.735 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -70.49 -40.26 73.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.895 ' HA ' HG21 ' A' ' 77' ' ' VAL . . . -62.42 -40.37 96.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.178 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.53 HG12 HD21 ' A' ' 62' ' ' ASN . 2.2 t -67.64 -54.7 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.619 ' HA ' ' OD1' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -56.7 -20.53 22.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.752 HD22 ' CE2' ' A' ' 52' ' ' PHE . 45.2 tp -81.42 -41.93 21.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -68.69 -61.35 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.318 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.619 ' OD1' ' HA ' ' A' ' 59' ' ' ARG . 2.7 p30 -51.35 -24.92 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' ' 28' ' ' SER . 52.7 tp -85.82 -43.32 13.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.1 mt -72.38 -6.13 41.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.3 -22.17 66.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.29 -15.74 22.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.521 ' HA ' HD21 ' A' ' 24' ' ' LEU . . . -74.25 -24.65 59.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.97 HG21 HD22 ' A' ' 90' ' ' LEU . 36.8 p -129.89 -44.35 1.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.373 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.74 -11.74 15.53 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.43 HD23 ' HB ' ' A' ' 68' ' ' THR . 0.6 OUTLIER -95.89 -174.66 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' A' ' 72' ' ' LEU . 3.7 ptp180 -92.96 6.2 48.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.868 HD23 HD13 ' A' ' 76' ' ' LEU . 1.8 mp 55.11 164.65 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.567 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -75.0 143.64 29.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.0 p -66.44 -24.96 66.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.974 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 78' ' ' PHE . 44.9 p -91.04 4.48 52.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.868 HD13 HD23 ' A' ' 72' ' ' LEU . 4.3 tp -41.38 -61.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.895 HG21 ' HA ' ' A' ' 57' ' ' ALA . 86.9 t -87.36 25.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.1 OUTLIER -139.97 9.5 2.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.4 OUTLIER -140.45 -37.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.72 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -87.57 121.59 70.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.585 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.455 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -127.1 -173.95 3.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -77.89 -43.45 30.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.89 -26.95 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 83' ' ' ALA . . . -83.97 -44.57 14.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.72 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 2.7 t -48.16 -50.07 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.94 -49.67 15.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.9 -57.24 20.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.1 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.567 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -51.57 -27.98 12.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.754 . . . . 0.0 110.962 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.97 HD22 HG21 ' A' ' 68' ' ' THR . 72.6 mt -85.04 -41.93 15.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.402 ' OD1' ' OG1' ' A' ' 18' ' ' THR . 5.2 t70 -56.45 -47.65 78.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.09 -35.04 74.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -73.52 -25.4 60.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.7 mt -89.75 -23.24 21.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.985 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 m -117.56 48.1 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.036 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -47.31 -41.15 18.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.599 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -90.38 113.76 25.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.88 -21.4 11.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -80.1 3.64 19.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.33 -8.46 46.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -21.37 1.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.765 HD12 ' N ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -67.28 -12.56 60.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.943 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.765 ' N ' HD12 ' A' ' 9' ' ' LEU . . . -73.4 9.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 9' ' ' LEU . . . -83.04 -28.76 36.27 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.615 HD22 ' C ' ' A' ' 10' ' ' ALA . 1.1 mm? 39.63 88.94 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.74 . . . . 0.0 109.333 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -174.37 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.799 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -41.98 -38.69 1.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.9 -82.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -43.28 -32.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -62.83 -52.75 61.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.527 HG23 ' OD1' ' A' ' 91' ' ' ASP . 23.0 m -61.64 -48.09 82.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.422 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.36 -27.6 67.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 3.8 tt0 -69.04 -45.39 70.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.565 HD21 ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -60.16 -36.43 77.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.857 HG22 ' HB2' ' A' ' 87' ' ' ALA . 40.4 t -62.57 -63.86 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.3 ttt-85 -55.79 -23.75 31.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.348 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.87 HD22 ' HB2' ' A' ' 67' ' ' ALA . 6.2 tt -80.75 -65.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.623 HG11 ' CG1' ' A' ' 86' ' ' VAL . 0.3 OUTLIER -42.8 -33.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.789 ' HG2' HG11 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -68.42 -64.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.3 m -51.6 -38.54 55.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.468 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.684 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.0 t -62.13 -54.17 45.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.054 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.542 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 24.4 m -59.59 -46.84 87.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.419 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.72 -29.68 70.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 m -72.58 -34.72 67.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 28' ' ' SER . 67.6 t -62.95 -14.24 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 33' ' ' LEU . 2.3 mm? -101.0 17.83 21.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.72 51.01 40.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -156.21 120.63 4.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.613 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.56 63.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.31 85.75 31.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.6 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.4 Cg_endo -75.0 -20.75 16.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -16.76 25.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.62 -17.77 20.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.789 HG11 ' HG2' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -78.97 -167.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.773 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 30.9 ttm-85 -153.13 -81.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 42' ' ' ARG . . . 153.72 -22.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 p -118.15 16.2 14.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.89 145.58 44.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 81' ' ' PRO . 18.1 Cg_endo -75.0 117.52 4.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.538 1.809 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -59.69 -23.14 62.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -57.06 -36.08 70.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.41 -16.82 59.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.42 -17.72 53.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.38 85.47 0.85 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.537 1.148 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.542 ' CZ ' HG23 ' A' ' 29' ' ' THR . 0.4 OUTLIER -131.53 138.75 49.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.986 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.627 ' H ' ' HB3' ' A' ' 56' ' ' ALA . 30.9 m-20 -135.49 -175.63 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.418 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 3.5 m -56.85 -17.6 9.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.029 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.02 -53.16 4.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.627 ' HB3' ' H ' ' A' ' 53' ' ' ASP . . . -66.1 -40.75 91.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.524 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -64.47 -36.73 85.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 54' ' ' SER . 2.4 t -72.5 -54.06 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -23.02 15.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.565 HD21 HD21 ' A' ' 64' ' ' LEU . 1.5 tm? -80.25 -51.6 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -28.27 49.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -74.27 -23.21 59.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.541 HD22 ' OG ' ' A' ' 28' ' ' SER . 1.2 tt -89.43 -45.44 9.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.565 HD21 HD21 ' A' ' 60' ' ' LEU . 4.0 mt -51.06 -23.21 2.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -19.58 17.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.16 -21.73 24.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.87 ' HB2' HD22 ' A' ' 24' ' ' LEU . . . -87.25 -13.17 44.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.675 HG21 ' CD2' ' A' ' 90' ' ' LEU . 23.4 p -139.19 -71.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.91 16.53 25.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.409 ' C ' HD12 ' A' ' 70' ' ' LEU . 4.3 pp -114.74 -170.2 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -82.06 102.18 10.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.493 ' CD2' HD21 ' A' ' 90' ' ' LEU . 59.7 mt -79.75 146.96 65.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.521 ' CG ' ' CE1' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -74.95 153.47 42.07 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.6 p -77.75 -20.93 52.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 78' ' ' PHE . 47.0 p -91.36 -3.48 56.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.63 ' C ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -45.05 -48.86 11.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.791 ' O ' HG12 ' A' ' 77' ' ' VAL . 53.9 t -88.97 36.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 75' ' ' THR . 3.5 t80 -148.19 -42.46 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 111.031 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.27 -11.04 53.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.751 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -103.14 106.42 50.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.613 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.478 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.1 Cg_endo -75.03 -24.79 12.43 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.99 162.13 38.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.524 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . . . -51.74 -54.36 29.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.67 -33.87 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 110.038 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.478 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -87.35 -46.78 9.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.751 HG23 ' CG ' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -53.34 -41.26 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.857 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -52.37 -44.22 65.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 89' ' ' PHE . . . -65.2 -59.6 7.72 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.116 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.633 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -37.42 -45.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 0.788 . . . . 0.0 111.042 179.973 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.675 ' CD2' HG21 ' A' ' 68' ' ' THR . 1.2 mt -74.1 -59.49 2.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.527 ' OD1' HG23 ' A' ' 18' ' ' THR . 1.5 t70 -43.24 -52.29 5.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.73 -39.69 58.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.7 tt0 -77.42 -22.18 51.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.4 mt -84.33 -28.17 27.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -119.14 -150.27 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 109.978 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 73.01 -70.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.65 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.33 112.29 23.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.15 -18.43 55.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.62 -44.88 40.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -90.71 36.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -79.42 -50.42 10.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.7 OUTLIER -44.67 -42.45 7.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.12 62.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.56 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 170.05 -25.74 0.1 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 mp 43.12 88.75 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 109.309 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -162.72 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.521 1.801 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -54.23 -49.43 69.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.88 -61.01 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 20' ' ' GLU . 13.5 mm-40 -55.37 -39.95 70.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.665 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -63.18 -47.25 83.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 m -64.29 -45.35 88.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.385 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.9 -22.08 61.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' GLU . 4.2 tt0 -74.85 -41.42 59.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.635 ' CD2' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -67.79 -32.95 73.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.72 HG22 ' HB2' ' A' ' 87' ' ' ALA . 5.1 t -64.94 -51.21 69.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -38.81 71.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.771 HD12 ' HB2' ' A' ' 67' ' ' ALA . 2.6 tm? -74.84 -37.01 62.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.512 HG11 ' CG1' ' A' ' 86' ' ' VAL . 2.2 t -56.11 -53.82 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -63.95 -71.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' ARG . 3.8 m -38.27 -31.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.996 ' O ' HG12 ' A' ' 32' ' ' VAL . 36.9 t -80.62 -51.16 9.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.575 ' CG2' HD21 ' A' ' 50' ' ' LEU . 98.9 m -48.31 -34.67 10.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.628 ' HB1' ' O ' ' A' ' 35' ' ' HIS . . . -82.6 -31.39 28.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' GLY . 41.5 m -72.78 -52.45 14.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.996 HG12 ' O ' ' A' ' 28' ' ' SER . 0.5 OUTLIER -45.11 -50.43 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.053 HD11 ' O ' ' A' ' 51' ' ' GLY . 13.3 mt -67.14 -29.22 68.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.554 ' O ' ' CG ' ' A' ' 35' ' ' HIS . . . 146.41 -62.33 0.46 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.628 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 30.3 m80 -159.66 -127.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.75 . . . . 0.0 109.594 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.601 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 2.5 t70 88.23 -16.8 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 36' ' ' ASP . 0.3 OUTLIER 58.95 155.72 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.44 ' HA ' HG12 ' A' ' 41' ' ' VAL . 18.2 Cg_endo -75.05 -21.12 16.1 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.466 1.772 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -28.98 70.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 36' ' ' ASP . . . -93.61 40.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.455 ' CG2' HG21 ' A' ' 45' ' ' THR . 1.1 p -175.88 147.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.04 176.81 5.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.01 -22.68 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -112.57 36.18 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.455 HG21 ' CG2' ' A' ' 41' ' ' VAL . 0.4 OUTLIER -105.87 156.15 37.11 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.385 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.35 12.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.547 1.814 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.884 ' HA ' HD23 ' A' ' 50' ' ' LEU . 26.2 p90 -76.8 -30.82 56.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -67.22 -10.98 56.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.72 -29.56 12.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.884 HD23 ' HA ' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -86.09 -13.78 46.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 1.053 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 117.97 121.69 3.14 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.696 ' CE1' ' HB1' ' A' ' 56' ' ' ALA . 0.1 OUTLIER 169.25 146.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 111.018 179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.25 -76.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' VAL . 38.4 m -130.76 -65.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.43 -55.45 8.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.696 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -66.66 -32.31 73.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.572 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -66.29 -31.32 72.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.3 t -84.71 -59.54 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.53 ' HB3' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -40.59 -34.8 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.724 HD13 HG11 ' A' ' 32' ' ' VAL . 12.4 tp -67.89 -68.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.05 -29.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 60' ' ' LEU . 4.9 m-80 -74.52 -53.27 9.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 60' ' ' LEU . 2.1 tt -66.4 -44.65 82.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' ALA . 5.9 mt -44.35 -30.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -50.5 -35.73 30.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.84 -29.83 70.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.771 ' HB2' HD12 ' A' ' 24' ' ' LEU . . . -83.25 -22.84 32.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.713 ' OG1' HD11 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -121.47 -88.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 -179.944 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.21 12.83 7.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.638 HD13 ' HB ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -121.98 -173.61 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 109.314 179.938 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -81.35 81.54 7.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.713 HD11 ' OG1' ' A' ' 68' ' ' THR . 19.6 mt -62.94 160.15 40.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.716 ' O ' HD12 ' A' ' 76' ' ' LEU . 18.2 Cg_endo -75.02 148.63 35.48 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.0 m -81.1 -21.61 39.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 79' ' ' ASP . 33.8 p -92.27 2.69 56.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.93 HD13 ' H ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -53.68 -40.81 66.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.93 ' H ' HD13 ' A' ' 76' ' ' LEU . 2.1 t -79.82 1.68 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -119.05 -12.58 9.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.4 OUTLIER -108.45 -8.37 15.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.691 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -112.27 103.19 55.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.592 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.458 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.03 -22.26 14.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -152.63 168.68 24.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 86' ' ' VAL . . . -59.88 -54.62 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.19 -27.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.458 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -88.16 -47.65 8.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.691 HG23 ' CG ' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -55.02 -46.21 77.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.72 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -46.82 -51.08 17.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -57.61 -57.42 19.88 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.123 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.627 ' CZ ' HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -45.7 -48.67 15.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 0.745 . . . . 0.0 111.008 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.695 HD23 ' CG2' ' A' ' 68' ' ' THR . 0.4 OUTLIER -60.79 -48.04 83.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -50.07 -23.65 2.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 89' ' ' PHE . . . -81.85 -34.2 30.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 90' ' ' LEU . 6.3 mm-40 -73.48 -29.62 62.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.665 HD22 ' CZ ' ' A' ' 17' ' ' ARG . 1.2 mt -91.38 -20.16 22.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.445 1.091 . . . . 0.0 111.0 -179.997 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 3' ' ' HIS . 0.6 OUTLIER 179.94 -79.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 109.975 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.486 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.9 OUTLIER 86.58 -48.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.571 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -8.96 58.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.2 tp -47.72 -40.96 21.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -50.32 12.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.4 43.91 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -88.33 -25.34 22.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER -86.53 -23.7 25.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.75 71.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 117.26 19.54 5.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' GLY . 1.8 pp -37.82 98.65 0.17 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 11' ' ' GLY . 18.2 Cg_endo -75.03 -177.35 3.41 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.27 -45.24 17.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.15 -70.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLU . 3.1 mp0 -41.61 -49.0 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -57.13 -54.56 45.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 m -60.4 -42.65 96.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.07 -22.96 63.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.8 tt0 -76.31 -49.63 16.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.98 ' O ' HG13 ' A' ' 25' ' ' VAL . 2.5 mm? -46.39 -57.04 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.838 HG22 ' HB2' ' A' ' 87' ' ' ALA . 99.4 t -53.23 -62.76 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -41.11 -25.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.696 HD22 ' HB2' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -90.83 -47.92 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.98 HG13 ' O ' ' A' ' 21' ' ' LEU . 1.5 m -57.27 -37.23 55.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.747 ' CZ ' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -77.19 -71.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.406 ' O ' ' CB ' ' A' ' 31' ' ' THR . 39.0 m -39.21 -50.12 1.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.924 ' O ' HG23 ' A' ' 32' ' ' VAL . 68.9 m -61.99 -56.11 22.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.888 HG21 HD13 ' A' ' 50' ' ' LEU . 2.0 m -46.29 -62.98 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.18 -37.49 69.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 27' ' ' THR . 3.5 m -64.13 -36.52 84.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 28' ' ' SER . 45.6 t -60.5 -53.15 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.892 HD21 ' O ' ' A' ' 50' ' ' LEU . 31.0 mt -54.73 -26.54 34.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.22 30.64 4.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.147 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -136.49 101.9 4.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.732 . . . . 0.0 109.603 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -83.27 73.09 10.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.91 97.8 1.68 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -23.34 14.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.551 1.816 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -13.16 58.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -104.46 36.37 2.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.487 HG21 HD21 ' A' ' 50' ' ' LEU . 3.7 p -174.94 152.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.79 -176.21 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.478 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . . . -98.73 -14.65 19.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 p -108.06 20.57 18.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.401 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -83.59 148.78 55.84 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.449 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.49 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -75.03 104.75 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.731 ' HA ' HD12 ' A' ' 50' ' ' LEU . 28.1 p90 -46.68 -24.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -59.64 -22.59 62.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.242 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -90.31 -6.9 54.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.892 ' O ' HD21 ' A' ' 33' ' ' LEU . 39.0 mt -92.13 33.98 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 43.81 28.81 1.23 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.76 ' HE2' HD22 ' A' ' 60' ' ' LEU . 2.4 m-30 -99.21 140.03 33.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -158.74 -66.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.491 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 58.5 m -129.4 -80.79 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.4 -62.2 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.609 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -58.95 -30.73 68.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 54' ' ' SER . . . -69.7 -29.76 67.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.5 t -90.37 -23.93 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -28.51 63.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.76 HD22 ' HE2' ' A' ' 52' ' ' PHE . 4.4 tp -90.73 -28.83 18.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -73.14 -27.01 61.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.445 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -83.66 -23.18 31.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 tt -87.97 -46.41 9.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 64' ' ' LEU . 12.9 mt -59.72 -16.17 25.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -58.53 -17.79 24.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -106.17 21.13 17.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.696 ' HB2' HD22 ' A' ' 24' ' ' LEU . . . -132.7 11.6 4.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' THR . . . . . 1.093 HG21 HD22 ' A' ' 90' ' ' LEU . 1.1 p -147.49 -53.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.46 3.49 22.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.618 HD21 ' HG2' ' A' ' 93' ' ' GLU . 0.6 OUTLIER -121.92 179.16 4.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.472 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -83.59 3.11 34.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.714 HD23 ' HZ ' ' A' ' 89' ' ' PHE . 0.5 OUTLIER 56.57 156.09 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.54 ' CG ' ' CE1' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.03 152.94 41.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 94.8 p -77.17 -24.36 51.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.093 . . . . 0.0 109.948 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 78' ' ' PHE . 18.7 p -92.75 1.85 57.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 110.42 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.685 ' CD1' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -45.63 -47.49 14.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.731 ' O ' HG12 ' A' ' 77' ' ' VAL . 69.0 t -90.88 36.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -144.36 -43.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.37 -8.39 57.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.838 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -104.53 105.45 50.18 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.563 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -75.02 -31.87 5.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -143.03 171.03 14.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.747 ' HB2' ' CZ ' ' A' ' 26' ' ' ARG . . . -62.91 -52.37 63.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.81 -25.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.447 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -90.18 -32.94 16.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.838 HG23 ' CG ' ' A' ' 80' ' ' HIS . 0.4 OUTLIER -65.21 -49.85 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.958 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.838 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -47.82 -43.54 28.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.2 -54.13 34.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.714 ' HZ ' HD23 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -48.24 -40.78 25.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 0.722 . . . . 0.0 110.985 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.093 HD22 HG21 ' A' ' 68' ' ' THR . 12.0 mt -75.41 -53.71 8.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 95' ' ' GLY . 2.5 t70 -46.16 -52.16 12.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.32 -35.63 74.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.618 ' HG2' HD21 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -71.37 -27.72 63.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.778 HD11 HG22 ' A' ' 68' ' ' THR . 18.4 mt -90.08 -21.21 22.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -155.13 145.28 21.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.92 135.13 16.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.619 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -71.63 63.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.992 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.633 HD12 ' HG2' ' A' ' 6' ' ' ARG . 1.1 pp -61.7 -143.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.633 ' HG2' HD12 ' A' ' 5' ' ' LEU . 7.5 ptt85 -88.07 19.64 3.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.1 -0.46 57.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.503 ' O ' ' CD1' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -87.52 -44.54 11.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.935 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.687 HD13 ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -90.59 -0.45 57.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 12' ' ' LEU . . . -70.56 49.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 9' ' ' LEU . . . 48.08 20.5 1.39 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 8' ' ' ARG . 2.7 mm? 38.39 88.72 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.774 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -178.09 3.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.521 1.8 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -55.98 -37.02 68.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.91 -69.19 0.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -55.73 -42.41 75.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -54.59 -55.55 28.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.7 m -64.37 -45.02 89.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.72 -17.3 55.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -89.3 -45.9 9.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.587 HD11 HG22 ' A' ' 68' ' ' THR . 1.7 mm? -55.7 -55.96 26.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.475 HG22 ' HB2' ' A' ' 87' ' ' ALA . 79.6 t -51.92 -67.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -38.78 -42.39 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.0 tt -70.86 -47.85 57.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 22' ' ' VAL . 9.5 t -51.06 -67.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.691 ' NH1' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -45.14 -68.89 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 31' ' ' THR . 27.4 m -39.13 -48.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.446 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.513 ' O ' HG12 ' A' ' 32' ' ' VAL . 42.2 t -63.26 -57.24 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.751 ' O ' HD12 ' A' ' 33' ' ' LEU . 3.6 m -53.27 -30.01 36.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.351 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.42 -29.46 22.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' THR . 20.8 m -73.68 -52.03 14.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.454 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 28' ' ' SER . 7.3 p -48.99 -51.36 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.751 HD12 ' O ' ' A' ' 29' ' ' THR . 9.1 mt -53.75 -26.45 23.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 31' ' ' THR . . . 98.86 49.12 1.67 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -147.55 167.42 24.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 0.733 . . . . 0.0 109.637 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -144.09 47.34 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.07 80.59 64.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -19.09 18.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -3.51 35.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.518 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -118.55 38.29 3.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 40' ' ' ALA . 67.9 t -156.74 136.36 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.45 166.91 11.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.31 -19.37 28.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -111.9 32.03 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -93.68 159.22 35.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 133.39 16.53 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.55 1.816 . . . . 0.0 111.05 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.61 ' CG ' ' N ' ' A' ' 48' ' ' LYS . 12.4 p90 -70.5 -46.59 63.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 111.049 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.61 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -56.63 -18.66 12.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -77.8 -36.2 50.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.667 ' HB3' HD11 ' A' ' 33' ' ' LEU . 13.9 mt -56.18 -34.62 66.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.54 37.06 0.8 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.642 ' CD2' HG11 ' A' ' 77' ' ' VAL . 5.5 m-85 -97.26 153.14 18.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.784 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.06 -74.84 0.2 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.439 ' O ' HG23 ' A' ' 58' ' ' VAL . 68.5 m -140.41 -52.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.7 -51.12 64.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.45 88.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.495 ' HB1' ' HB ' ' A' ' 77' ' ' VAL . . . -70.14 -36.89 75.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 54' ' ' SER . 3.3 t -70.83 -56.95 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -37.21 18.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.469 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 28.8 tp -62.02 -54.79 36.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.418 ' NH1' HD21 ' A' ' 65' ' ' ASN . 0.1 OUTLIER -47.64 -51.21 22.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -50.67 -30.8 14.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.05 -40.35 13.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.496 ' HB3' HD21 ' A' ' 90' ' ' LEU . 2.8 mt -57.75 -32.19 67.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.418 HD21 ' NH1' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -60.95 -19.99 61.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.67 -15.92 20.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.86 -35.5 74.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.241 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.819 ' CG2' HD23 ' A' ' 90' ' ' LEU . 30.7 p -119.15 -39.35 2.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.7 -2.33 32.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.721 HD11 ' HB3' ' A' ' 93' ' ' GLU . 1.1 pp -111.77 -174.74 2.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.75 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.639 ' O ' HD12 ' A' ' 70' ' ' LEU . 10.7 ptp85 -85.94 -178.55 6.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.543 HD11 HD21 ' A' ' 90' ' ' LEU . 77.3 mt -155.42 158.04 31.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 151.3 39.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.2 t -71.58 -18.32 62.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.03 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 78' ' ' PHE . 24.2 p -89.86 -5.71 56.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.398 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.023 HD23 HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -40.58 -58.44 1.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.335 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.023 HG23 HD23 ' A' ' 76' ' ' LEU . 70.5 t -87.94 38.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.481 ' N ' ' O ' ' A' ' 75' ' ' THR . 7.4 t80 -143.84 -44.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.59 -15.8 36.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.556 ' C ' ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -90.23 127.59 52.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.61 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.01 -47.44 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.539 1.81 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.1 178.43 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.691 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . . . -63.58 -48.43 77.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -38.93 -36.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -75.58 -54.6 6.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.49 HG22 HD11 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -47.28 -46.68 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.475 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -49.3 -46.27 46.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.55 -63.48 4.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.49 ' O ' ' CG ' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -39.47 -39.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 111.012 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.819 HD23 ' CG2' ' A' ' 68' ' ' THR . 2.6 mp -75.76 -49.7 17.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.538 ' HA ' HD21 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -56.86 -35.82 69.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.245 -179.961 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.25 -32.44 55.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.721 ' HB3' HD11 ' A' ' 70' ' ' LEU . 5.7 mm-40 -76.16 -28.42 57.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.538 HD21 ' HA ' ' A' ' 91' ' ' ASP . 4.1 pp -91.07 -23.16 20.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.996 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.47 154.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 110.034 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -109.25 -93.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.602 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -0.04 18.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.71 HD13 ' O ' ' A' ' 5' ' ' LEU . 2.5 tm? -89.39 -6.48 56.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -35.76 79.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -58.64 -43.59 89.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.13 -44.84 15.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' A' ' 11' ' ' GLY . 7.3 tp -54.38 -52.19 62.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.59 5.96 3.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' A' ' 9' ' ' LEU . . . -112.86 -6.64 22.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.472 HD23 ' HD2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -87.51 153.6 53.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.472 ' HD2' HD23 ' A' ' 12' ' ' LEU . 18.2 Cg_endo -75.02 138.68 23.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.436 ' NH1' ' O ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -43.03 -35.72 1.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.53 -55.92 21.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 9.5 mm-40 -55.34 -36.19 66.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ttm-85 -68.17 -48.42 65.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.6 m -67.62 -50.16 59.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.77 -15.26 52.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 5.7 tt0 -89.17 -55.27 3.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.743 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -61.85 -38.93 90.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.576 HG12 ' N ' ' A' ' 23' ' ' ARG . 2.4 t -53.36 -74.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.576 ' N ' HG12 ' A' ' 22' ' ' VAL . 1.1 ttt180 -42.02 -33.2 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -70.61 -54.42 12.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 21' ' ' LEU . 90.9 t -47.79 -47.09 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -53.91 -61.75 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 m -60.42 -22.83 63.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.572 ' O ' HD23 ' A' ' 63' ' ' LEU . 1.2 p -73.41 -36.66 66.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.009 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.661 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 2.6 m -76.37 -51.68 11.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.417 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.48 -32.49 3.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.5 m -58.56 -34.1 70.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.388 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.781 HG11 ' HB1' ' A' ' 56' ' ' ALA . 13.2 t -65.3 -20.09 26.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.591 HD11 ' O ' ' A' ' 50' ' ' LEU . 54.9 mt -102.1 28.05 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 38.59 47.0 2.21 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -131.9 159.39 38.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 109.606 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.33 64.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -165.75 112.06 0.77 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -18.52 18.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -19.28 43.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.58 31.73 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -176.14 157.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.5 178.96 4.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.24 -28.24 21.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.3 p -115.0 41.22 2.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.424 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.48 157.26 34.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 111.68 3.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.454 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 8.8 p90 -58.67 -14.66 8.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.04 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.47 -10.05 59.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -95.72 -28.14 14.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.958 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.597 HD11 ' CD2' ' A' ' 52' ' ' PHE . 4.1 pp -79.72 -16.37 55.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.436 ' O ' HD12 ' A' ' 50' ' ' LEU . . . 93.76 115.92 2.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.661 ' CZ ' HG23 ' A' ' 29' ' ' THR . 0.1 OUTLIER -156.07 144.65 20.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.754 . . . . 0.0 111.032 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.543 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 65.5 m-20 -153.38 -175.16 5.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -59.31 -15.5 16.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.005 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.55 -58.0 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.781 ' HB1' HG11 ' A' ' 32' ' ' VAL . . . -66.21 -36.46 83.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.9 ' HB1' HG11 ' A' ' 77' ' ' VAL . . . -65.8 -37.04 85.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 t -75.17 -32.67 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -72.09 -24.91 61.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.481 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 10.4 tp -77.88 -57.78 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.842 HH21 ' HB3' ' A' ' 74' ' ' SER . 5.7 tmm_? -53.45 -22.96 8.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -83.22 -27.38 30.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 28' ' ' SER . 30.5 tp -89.1 -41.27 12.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.591 ' HB3' HD13 ' A' ' 72' ' ' LEU . 3.8 mt -50.97 -22.54 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 61' ' ' ARG . 3.2 m-80 -53.61 -32.58 51.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.69 18.73 6.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.485 ' CB ' HD21 ' A' ' 24' ' ' LEU . . . -115.96 -9.81 11.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.177 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.945 HG21 HD22 ' A' ' 90' ' ' LEU . 1.3 p -150.09 -45.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.421 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 123.83 -17.94 7.63 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.609 HD13 ' OE1' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -93.74 -169.31 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.779 . . . . 0.0 109.327 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.609 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -102.81 0.32 32.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.153 . . . . 0.0 110.303 179.957 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.806 HD11 HD21 ' A' ' 90' ' ' LEU . 0.3 OUTLIER 48.85 167.32 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.401 ' HG2' ' CB ' ' A' ' 76' ' ' LEU . 18.3 Cg_endo -74.99 148.66 35.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.809 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.842 ' HB3' HH21 ' A' ' 61' ' ' ARG . 26.8 p -81.49 -20.99 39.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.1 p -92.8 3.64 55.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.427 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.7 HD13 HD23 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -64.18 -59.92 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.9 HG11 ' HB1' ' A' ' 57' ' ' ALA . 2.6 p -39.48 -29.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.445 ' N ' ' C ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -94.93 -44.14 7.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.438 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 9.9 t0 -65.36 -19.8 66.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.718 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -102.7 110.38 63.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.562 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.462 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.02 -27.47 9.96 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.449 1.763 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 0.4 OUTLIER -147.13 170.92 16.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.47 -45.17 95.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.94 -29.77 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.462 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -73.63 -60.57 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.718 HG23 ' CG ' ' A' ' 80' ' ' HIS . 63.4 t -39.85 -49.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.413 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -45.87 -50.27 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -58.67 -68.43 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.3 OUTLIER -37.18 -33.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 0.74 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.945 HD22 HG21 ' A' ' 68' ' ' THR . 19.5 mt -85.28 -52.16 6.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.83 -33.75 57.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.88 72.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.609 ' OE1' HD13 ' A' ' 70' ' ' LEU . 21.9 tt0 -76.33 -24.4 54.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.606 HD11 HG22 ' A' ' 68' ' ' THR . 14.5 mt -90.01 -22.12 22.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.436 ' O ' ' NH1' ' A' ' 14' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -81.97 88.06 6.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 110.007 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -47.53 168.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.586 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.5 mmt -46.05 99.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.625 ' H ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -69.6 -8.63 49.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.499 ' N ' HD22 ' A' ' 5' ' ' LEU . 8.4 ttt180 -89.77 -25.9 20.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.734 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 5.9 m-20 -75.93 -20.07 58.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -55.23 -48.32 74.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 11' ' ' GLY . 26.6 mt -61.6 -20.29 63.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.734 ' HB3' ' O ' ' A' ' 7' ' ' ASP . . . -68.36 61.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 47.8 21.81 1.69 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.425 HD12 ' C ' ' A' ' 11' ' ' GLY . 2.4 mp 52.59 85.28 0.19 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -175.55 2.41 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -43.77 -60.07 1.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.16 -73.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' GLU . 20.3 tp10 -42.75 -41.92 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.352 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.483 ' HD3' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -60.52 -51.17 70.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.6 m -64.44 -45.34 87.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.392 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.67 -23.69 65.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 16' ' ' GLU . 3.6 tt0 -80.76 -48.12 12.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.709 HD22 ' CD1' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -63.02 -57.05 11.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 21' ' ' LEU . 3.4 t -40.0 -57.52 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -56.61 -38.64 72.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.499 HD22 ' CB ' ' A' ' 67' ' ' ALA . 8.3 tt -67.6 -60.78 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.695 HG11 HG11 ' A' ' 86' ' ' VAL . 46.3 t -39.17 -64.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.7 -72.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 m -48.43 -51.75 25.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.432 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.1 t -46.17 -46.95 17.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.892 ' O ' HG12 ' A' ' 32' ' ' VAL . 1.3 m -63.53 -72.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.427 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.61 -46.6 5.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.468 HG23 ' OD1' ' A' ' 36' ' ' ASP . 9.1 m -51.33 -41.02 60.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.426 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.892 HG12 ' O ' ' A' ' 29' ' ' THR . 0.8 OUTLIER -57.41 -25.39 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.867 HD13 HG13 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -98.09 32.3 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.02 22.11 5.99 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.597 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 3.5 m-70 -79.66 -101.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 0.0 109.614 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.597 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 6.4 m-20 90.17 42.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -164.04 86.26 1.2 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' VAL . 18.1 Cg_endo -75.03 -15.0 20.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.767 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 38' ' ' PRO . 29.4 pttt -40.29 -29.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' PRO . . . -114.69 54.19 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -160.05 150.37 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 -99.51 167.59 10.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.99 -7.22 52.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -130.54 32.27 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.383 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -89.82 160.82 40.28 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 107.95 2.6 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 1.017 ' CZ ' ' HB2' ' A' ' 83' ' ' ALA . 1.8 m-85 -68.33 -35.89 78.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -19.19 7.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.77 -27.37 20.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.4 mt -50.34 -41.13 50.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 132.93 55.27 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.68 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 4.7 m-85 -119.73 152.1 37.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 0.781 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -157.38 -65.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 58' ' ' VAL . 49.5 m -146.05 -63.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.974 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 55' ' ' LEU . 9.2 mt -56.58 -51.96 66.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.465 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -65.76 -28.68 69.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.55 -32.28 60.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 54' ' ' SER . 3.1 t -84.0 -25.31 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.467 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . 1.5 ttt180 -75.57 -27.73 58.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.68 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 32.3 tp -75.5 -56.38 4.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 71' ' ' ARG . 6.1 ttm180 -46.65 -53.5 11.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -53.99 -23.59 13.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -89.91 -59.25 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.647 ' HB3' HD11 ' A' ' 72' ' ' LEU . 9.7 mt -48.75 -23.43 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 61' ' ' ARG . 0.8 OUTLIER -55.31 -29.68 58.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.59 3.05 26.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.499 ' CB ' HD22 ' A' ' 24' ' ' LEU . . . -122.23 2.92 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.953 ' CG2' HD21 ' A' ' 72' ' ' LEU . 24.7 p -130.65 -68.02 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.37 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.93 -12.68 6.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 65' ' ' ASN . 0.5 OUTLIER -116.43 -170.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 179.941 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.5 ' O ' ' CD ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -88.39 4.95 44.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.306 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.953 HD21 ' CG2' ' A' ' 68' ' ' THR . 91.5 mt 55.9 162.12 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.076 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.556 ' CG ' ' CE1' ' A' ' 89' ' ' PHE . 18.1 Cg_endo -75.05 132.42 15.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.2 p -55.18 -22.09 16.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 78' ' ' PHE . 59.2 p -87.77 -1.37 57.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.822 ' CD1' HD13 ' A' ' 72' ' ' LEU . 4.5 tt -43.36 -57.33 3.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.693 ' O ' HG12 ' A' ' 77' ' ' VAL . 95.3 t -89.11 24.24 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -138.61 6.97 2.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -147.61 18.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.901 ' CB ' HG23 ' A' ' 86' ' ' VAL . 3.2 p-80 -119.99 105.3 42.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.593 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.95 21.46 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.454 1.766 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -162.14 -176.57 5.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 1.017 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . . . -81.82 -46.36 14.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -14.37 20.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.8 -40.58 12.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.901 HG23 ' CB ' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -58.41 -58.67 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.636 ' N ' HG12 ' A' ' 86' ' ' VAL . . . -46.29 -37.44 7.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.64 -40.91 96.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.785 ' CE2' HD23 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -61.35 -51.28 69.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 0.78 . . . . 0.0 110.998 -179.949 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.785 HD23 ' CE2' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -64.73 -48.43 74.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 95' ' ' GLY . 21.8 t70 -40.94 -57.47 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.68 -39.01 57.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 90' ' ' LEU . 3.7 tt0 -71.88 -25.53 61.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 mt -88.26 -22.59 23.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.13 -62.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 0.0 109.978 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 176.55 -177.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.598 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.9 mmt -63.01 95.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.03 -44.06 41.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.56 -53.49 8.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' GLY . 16.6 t0 -63.64 -48.12 78.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -45.81 -53.72 9.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 9' ' ' LEU . 13.1 mt -51.12 -49.02 61.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.48 17.81 5.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 7' ' ' ASP . . . -147.96 29.03 1.41 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -99.71 109.22 54.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -165.38 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.477 1.777 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -62.86 -43.16 99.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.88 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -38.92 -57.39 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.539 HH12 HD21 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -51.1 -54.42 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 m -58.21 -39.32 78.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.37 -17.06 60.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.8 tt0 -82.48 -43.62 17.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.1 mm? -54.93 -46.48 74.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.521 ' CG2' ' CB ' ' A' ' 87' ' ' ALA . 2.6 t -61.27 -68.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.453 ' N ' HG12 ' A' ' 22' ' ' VAL . 2.3 mmt180 -47.23 -33.21 5.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.453 HD23 ' N ' ' A' ' 25' ' ' VAL . 2.1 tt -66.57 -49.77 65.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 21' ' ' LEU . 46.7 t -55.09 -34.85 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.902 HH21 ' CB ' ' A' ' 43' ' ' ALA . 78.9 mmt-85 -58.32 -63.34 1.31 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -66.64 -44.46 81.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 t -53.15 -42.22 65.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.818 ' O ' HG12 ' A' ' 32' ' ' VAL . 75.9 m -77.78 -57.19 3.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.02 -26.18 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.435 ' N ' ' C ' ' A' ' 29' ' ' THR . 89.1 m -83.81 -38.92 20.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.391 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.85 HG21 ' HB2' ' A' ' 60' ' ' LEU . 1.4 p -56.16 -25.91 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.851 HD11 ' O ' ' A' ' 51' ' ' GLY . 4.0 mm? -91.04 10.1 28.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 65.86 54.72 23.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -147.33 -177.22 5.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.585 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -161.25 70.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -169.8 111.78 0.48 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -12.05 21.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.07 -6.7 44.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.93 37.94 2.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -176.58 160.78 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.56 173.84 8.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.902 ' CB ' HH21 ' A' ' 26' ' ' ARG . . . -80.53 -31.61 36.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.482 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 2.4 p -112.42 40.47 2.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 0.0 110.363 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.43 152.46 37.8 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.443 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.45 ' HG2' ' CG ' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -74.97 120.04 5.91 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.536 1.809 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.626 ' HB3' ' CE1' ' A' ' 80' ' ' HIS . 25.7 p90 -48.66 -47.91 40.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.515 ' N ' ' CD2' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -47.74 -55.89 8.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.45 ' CG ' ' HG2' ' A' ' 46' ' ' PRO . 15.5 mm-40 -44.1 -39.71 4.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -93.16 45.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.851 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 38.58 92.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.721 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -162.59 124.9 2.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 110.976 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.638 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -170.55 126.74 0.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 58' ' ' VAL . 3.4 m 32.72 -88.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.638 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -34.5 -78.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.96 -36.11 59.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.82 ' HB1' ' HB ' ' A' ' 77' ' ' VAL . . . -60.02 -27.05 66.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 54' ' ' SER . 1.1 t -83.99 -57.61 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.434 ' N ' HG12 ' A' ' 58' ' ' VAL . 12.7 ttt180 -38.21 -30.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.85 ' HB2' HG21 ' A' ' 32' ' ' VAL . 1.8 tp -85.38 -50.72 7.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -49.21 -28.2 4.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.257 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.443 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -71.54 -33.08 68.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -87.63 -40.78 13.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.528 HD22 ' CD2' ' A' ' 90' ' ' LEU . 7.6 mt -50.18 -22.97 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -57.96 -20.48 38.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.03 -18.46 21.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.19 -42.95 99.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.464 ' HB ' HD23 ' A' ' 70' ' ' LEU . 3.0 p -111.68 -30.97 7.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.2 4.03 53.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.922 HD11 ' HG2' ' A' ' 93' ' ' GLU . 0.6 OUTLIER -125.49 -173.49 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.424 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 3.8 mtt180 -85.39 167.33 15.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.504 HD21 ' HG ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -153.15 162.79 25.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.944 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.987 ' O ' HD23 ' A' ' 76' ' ' LEU . 18.3 Cg_endo -75.0 142.29 27.67 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.495 ' OG ' HG22 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -75.58 -16.16 60.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.057 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 78' ' ' PHE . 67.1 p -89.71 -8.05 53.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.364 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.987 HD23 ' O ' ' A' ' 73' ' ' PRO . 1.4 pp -46.81 -42.01 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.82 ' HB ' ' HB1' ' A' ' 57' ' ' ALA . 20.6 t -87.08 38.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' THR . 2.8 t80 -138.74 -44.21 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.31 6.96 44.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.67 ' CD2' ' HA ' ' A' ' 77' ' ' VAL . 1.5 p80 -96.13 126.64 43.57 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.478 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.4 Cg_endo -75.04 -27.26 10.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.482 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -165.01 160.48 19.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' ALA . . . -46.84 -48.7 20.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -38.88 -29.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.99 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.478 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -77.5 -53.75 7.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 83' ' ' ALA . 55.0 t -42.32 -49.29 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.521 ' CB ' ' CG2' ' A' ' 22' ' ' VAL . . . -47.0 -42.26 17.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -67.27 -64.59 3.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -39.83 -30.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.75 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.528 ' CD2' HD22 ' A' ' 64' ' ' LEU . 6.7 mp -84.18 -46.79 11.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.761 ' HA ' HD23 ' A' ' 94' ' ' LEU . 2.1 t70 -61.44 -39.56 91.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.22 -28.28 61.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.922 ' HG2' HD11 ' A' ' 70' ' ' LEU . 10.9 tt0 -84.52 -23.98 29.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.761 HD23 ' HA ' ' A' ' 91' ' ' ASP . 0.3 OUTLIER -89.96 -26.38 20.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.993 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.527 ' H2 ' ' HG3' ' A' ' 23' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m -137.59 172.57 12.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.044 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 5' ' ' LEU . 2.7 p80 -76.87 147.98 36.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.617 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -59.64 79.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 -179.968 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.733 HD13 ' N ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -76.63 -122.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.733 ' N ' HD13 ' A' ' 5' ' ' LEU . 25.4 mmt-85 -86.93 65.39 8.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 10' ' ' ALA . 5.4 p-10 -38.29 -29.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 6' ' ' ARG . 0.9 OUTLIER -47.56 -22.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.415 ' C ' ' H ' ' A' ' 11' ' ' GLY . 1.3 mm? -89.1 26.38 1.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 7' ' ' ASP . . . -74.73 5.79 4.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 12' ' ' LEU . . . -91.75 -4.87 67.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.943 HD23 ' CB ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -47.78 174.92 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 12' ' ' LEU . 18.2 Cg_endo -75.04 169.46 22.56 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.852 HH21 HG21 ' A' ' 18' ' ' THR . 0.2 OUTLIER -39.49 -35.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.99 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.943 ' CB ' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -57.9 -33.25 68.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.661 HH21 ' HG ' ' A' ' 21' ' ' LEU . 2.2 tpt180 -59.36 -52.82 63.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.852 HG21 HH21 ' A' ' 14' ' ' ARG . 95.0 m -65.35 -48.24 73.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.85 -18.27 63.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 2.1 tp10 -89.95 -43.75 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.661 ' HG ' HH21 ' A' ' 17' ' ' ARG . 2.7 mt -65.82 -27.41 68.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.25 -64.12 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.604 ' CZ ' HG21 ' A' ' 27' ' ' THR . 4.1 tmt_? -54.78 -36.11 64.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.691 HD23 ' N ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -63.3 -53.34 54.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.932 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.752 HG22 HD21 ' A' ' 64' ' ' LEU . 2.1 t -51.42 -42.37 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.6 mtm105 -55.65 -60.6 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.604 HG21 ' CZ ' ' A' ' 23' ' ' ARG . 2.0 p -62.57 -49.14 76.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.437 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.609 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.4 t -47.9 -50.89 25.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.988 ' CG2' HD13 ' A' ' 50' ' ' LEU . 27.3 m -60.9 -61.69 2.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 110.442 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.93 -33.11 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 m -72.29 -38.88 68.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.639 HG13 ' HB3' ' A' ' 59' ' ' ARG . 53.3 t -56.22 -37.34 49.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.663 HD23 ' CE1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -90.07 13.76 14.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.23 -43.73 3.23 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.479 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.9 p80 -170.51 -173.02 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.777 . . . . 0.0 109.562 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER 157.2 -26.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 7.9 t0 81.61 125.29 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.05 19.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.441 1.758 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -73.42 -10.31 59.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.35 -19.94 18.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.423 HG12 ' H ' ' A' ' 43' ' ' ALA . 30.5 t -87.86 124.63 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.725 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 8.2 mtm180 -100.66 2.59 41.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 86.62 -44.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.458 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 1.2 p -82.4 8.69 10.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.409 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.952 HG23 ' H ' ' A' ' 47' ' ' PHE . 1.3 t -51.45 152.8 4.22 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.382 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.531 ' HD2' ' OG1' ' A' ' 45' ' ' THR . 18.4 Cg_endo -74.95 6.62 3.27 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.466 1.771 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.952 ' H ' HG23 ' A' ' 45' ' ' THR . 2.4 t80 63.95 -61.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 46' ' ' PRO . 7.3 mttt -42.08 -28.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -54.54 -31.23 56.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.988 HD13 ' CG2' ' A' ' 29' ' ' THR . 4.4 mt -68.77 -22.13 64.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.67 -0.01 76.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.11 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.663 ' CE1' HD23 ' A' ' 33' ' ' LEU . 1.9 m-85 -46.31 152.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -150.1 -83.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.4 m -126.36 -60.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.46 -53.06 61.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.612 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -60.03 -42.51 94.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.699 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -65.82 -23.92 66.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.17 -38.04 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.639 ' HB3' HG13 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -64.5 -38.54 91.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.513 ' HB2' HG21 ' A' ' 32' ' ' VAL . 5.7 tp -68.87 -30.47 68.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.457 ' NH1' ' O ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -70.15 -48.65 56.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -57.39 -27.11 62.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.42 ' C ' ' N ' ' A' ' 65' ' ' ASN . 0.2 OUTLIER -89.94 -59.72 2.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.355 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.069 HD22 HD21 ' A' ' 90' ' ' LEU . 13.7 mt -43.54 -27.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 69' ' ' GLY . 0.8 OUTLIER -53.1 -40.73 64.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -78.22 -20.45 51.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.585 ' HB1' ' CD2' ' A' ' 21' ' ' LEU . . . -73.42 -32.66 64.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.837 HG23 HD23 ' A' ' 90' ' ' LEU . 20.3 p -109.08 -61.12 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.442 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 134.55 -15.46 4.4 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.85 -169.92 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.562 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -87.33 1.06 54.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.34 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.931 HD13 ' CD1' ' A' ' 76' ' ' LEU . 13.1 mt 50.51 166.09 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.361 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 72' ' ' LEU . 18.1 Cg_endo -75.0 137.02 21.17 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.7 p -64.08 -16.42 61.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.514 ' CG2' ' HB2' ' A' ' 79' ' ' ASP . 0.9 OUTLIER -89.29 -8.2 53.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.931 ' CD1' HD13 ' A' ' 72' ' ' LEU . 9.0 tt -40.87 -54.14 2.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.792 ' O ' HG12 ' A' ' 77' ' ' VAL . 52.5 t -84.83 43.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.3 OUTLIER -150.02 -48.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.514 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 1.6 t70 -86.57 -0.82 56.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 80' ' ' HIS . 1.5 p-80 -101.04 107.72 51.23 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.554 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -74.99 -31.2 6.41 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -143.33 175.25 10.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.94 -50.56 65.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.533 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 1.0 OUTLIER -41.23 -45.6 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.437 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -60.47 -59.51 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.493 ' CG1' HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -44.61 -43.41 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.961 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 84' ' ' SER . . . -49.13 -57.06 7.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.86 -56.8 18.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.22 -39.61 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.784 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.069 HD21 HD22 ' A' ' 64' ' ' LEU . 4.2 mp -70.65 -42.68 70.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.502 ' OD1' ' CG ' ' A' ' 14' ' ' ARG . 1.7 t70 -61.28 -46.77 88.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.39 -34.18 72.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -75.73 -25.57 56.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.535 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.7 mt -84.74 -26.69 27.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.426 ' HA ' ' NH1' ' A' ' 17' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.11 -76.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -39.73 -42.4 1.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.426 ' NH1' ' HA ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -59.15 -55.31 36.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.3 m -60.71 -46.73 89.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.381 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.32 -17.98 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -87.35 -56.73 3.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.424 ' CD2' HD23 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -57.93 -39.37 77.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.584 HG22 ' HB2' ' A' ' 87' ' ' ALA . 9.8 t -54.22 -62.19 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.89 -43.01 13.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 25' ' ' VAL . 1.4 tt -67.95 -49.87 59.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.472 ' N ' HD23 ' A' ' 24' ' ' LEU . 10.6 t -52.86 -45.66 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -56.2 -65.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -54.37 -46.04 72.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.2 t -58.74 -52.55 65.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.785 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 53.8 m -49.21 -57.4 6.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.436 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.64 -29.36 67.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -37.57 86.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.817 HG12 HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -57.42 -30.84 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.817 HD22 HG12 ' A' ' 32' ' ' VAL . 2.3 mm? -74.92 -15.44 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.31 44.17 5.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -160.21 138.72 10.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.626 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -99.14 66.65 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.416 ' OD2' ' HB2' ' A' ' 40' ' ' ALA . 10.3 t70 -133.04 100.99 13.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.483 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.1 Cg_endo -75.02 -14.49 21.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.77 . . . . 0.0 110.956 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -64.33 -12.53 43.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.416 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . . . -99.23 28.0 4.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 38' ' ' PRO . 2.8 p -163.73 148.15 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.623 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 13.6 mtp180 -138.11 23.11 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.366 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.673 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . . . 78.46 -54.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.473 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 6.4 m -93.31 39.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.762 HG21 HD21 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -95.98 159.47 32.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 109.87 3.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.89 ' HA ' HD12 ' A' ' 50' ' ' LEU . 6.7 p90 -58.85 -45.26 90.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.643 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 10.5 tptt -52.9 -41.42 64.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.54 -40.31 80.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.89 HD12 ' HA ' ' A' ' 47' ' ' PHE . 63.7 mt -49.6 -35.1 19.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.44 45.16 0.8 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.785 ' CZ ' HG23 ' A' ' 29' ' ' THR . 26.1 m-85 -111.17 134.89 52.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.746 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.18 -77.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 58' ' ' VAL . 12.2 m -129.45 -63.91 0.92 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.14 -54.32 45.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.96 -22.08 62.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.456 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -79.1 -28.65 43.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' SER . 0.9 OUTLIER -88.48 -42.21 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.465 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -50.05 -38.4 37.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.706 HD13 ' HA ' ' A' ' 29' ' ' THR . 2.8 tp -73.76 -50.0 22.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.649 ' HB2' HD21 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -56.65 -32.87 65.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -65.61 -43.35 89.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.68 -42.66 58.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.78 HD13 HD21 ' A' ' 90' ' ' LEU . 9.2 mt -57.73 -17.79 17.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.414 ' ND2' ' HG3' ' A' ' 71' ' ' ARG . 26.5 t-20 -60.9 -35.31 76.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.37 13.33 11.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.76 0.45 9.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.841 HG21 ' HG ' ' A' ' 90' ' ' LEU . 4.5 p -140.62 -50.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.36 -19.65 8.07 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.559 HD12 ' H ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -107.73 -169.59 1.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 0.739 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -101.71 4.66 40.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.744 HD11 ' HB3' ' A' ' 64' ' ' LEU . 14.6 mt 55.74 159.78 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.719 ' O ' HD23 ' A' ' 76' ' ' LEU . 18.5 Cg_endo -74.9 143.09 28.98 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 111.035 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.0 m -63.2 -19.05 64.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.949 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.7 p -90.41 -7.41 53.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.725 ' CD1' HG23 ' A' ' 77' ' ' VAL . 1.3 pp -48.42 -44.18 34.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.776 HG12 ' O ' ' A' ' 77' ' ' VAL . 54.3 t -90.25 36.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.97 -43.87 0.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.57 -16.68 38.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.691 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -93.9 111.8 54.43 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.625 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -29.58 8.18 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.772 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.473 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 3.6 m-80 -146.87 173.75 12.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.673 ' HB3' ' HA ' ' A' ' 43' ' ' ALA . . . -60.02 -48.03 83.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.68 -32.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.19 -50.08 12.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.691 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 55.6 t -46.33 -47.74 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.584 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -48.78 -41.21 31.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -67.11 -66.92 2.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.06 -40.34 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.841 ' HG ' HG21 ' A' ' 68' ' ' THR . 6.7 mp -71.21 -43.1 68.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 88' ' ' GLY . 12.3 t0 -59.44 -48.69 80.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.2 -32.35 68.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HB3' HD21 ' A' ' 70' ' ' LEU . 5.6 mm-40 -77.63 -24.53 49.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.7 mt -86.62 -25.66 24.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 18' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.11 -53.22 10.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -61.62 -54.14 46.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -24.87 42.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ARG . 93.0 m -88.48 -33.38 17.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.425 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.5 -38.83 48.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 21' ' ' LEU . 6.8 pt-20 -57.59 -32.99 67.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.702 HD21 ' CG2' ' A' ' 68' ' ' THR . 0.8 OUTLIER -75.56 -47.43 26.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.496 HG22 ' HB2' ' A' ' 87' ' ' ALA . 16.7 t -49.72 -65.91 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.09 -41.57 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.073 HD22 ' HB2' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -71.77 -44.7 63.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.47 HG12 ' HB1' ' A' ' 83' ' ' ALA . 43.7 t -62.88 -32.14 54.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.915 ' NH1' ' HB3' ' A' ' 83' ' ' ALA . 4.6 mtp85 -70.63 -56.34 6.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.467 ' O ' ' CB ' ' A' ' 31' ' ' THR . 8.2 m -68.65 -29.25 67.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.969 ' O ' HG23 ' A' ' 32' ' ' VAL . 16.1 t -66.13 -46.44 77.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.1 m -67.37 -59.02 3.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.63 -38.44 46.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' ' 27' ' ' THR . 2.5 m -62.36 -40.56 96.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.388 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 28' ' ' SER . 48.1 t -57.38 -17.88 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.591 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 1.2 mm? -103.43 28.41 6.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . 35.14 54.25 0.91 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 33' ' ' LEU . 57.9 m-70 -149.15 118.16 6.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.594 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.82 66.88 3.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -155.46 90.3 2.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.416 ' C ' ' N ' ' A' ' 40' ' ' ALA . 18.5 Cg_endo -74.96 -13.75 21.42 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.437 1.756 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.74 -25.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -87.78 43.32 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.838 ' CG1' HH21 ' A' ' 26' ' ' ARG . 47.3 t -154.82 150.75 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.482 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 12.7 mtt180 -138.13 38.59 2.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 26' ' ' ARG . . . 70.33 -58.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 42' ' ' ARG . 82.1 p -96.64 44.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.427 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -88.75 148.14 40.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 45' ' ' THR . 18.1 Cg_endo -75.03 109.74 2.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.545 ' CD1' ' C ' ' A' ' 47' ' ' PHE . 2.4 p90 -58.67 -31.16 67.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.532 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 1.4 tmtt? -56.96 -33.29 66.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -76.44 -0.71 23.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.08 25.11 11.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.55 78.54 0.1 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.852 ' HD2' HG11 ' A' ' 77' ' ' VAL . 1.0 OUTLIER -144.96 145.44 31.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 111.04 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -157.45 -80.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -120.77 -64.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.964 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.09 -63.02 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.593 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -59.52 -33.67 71.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.381 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.446 ' HB1' ' HB ' ' A' ' 77' ' ' VAL . . . -67.83 -29.11 68.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.5 t -84.33 -34.03 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.429 ' HB3' HG13 ' A' ' 32' ' ' VAL . 1.3 ttt180 -62.16 -34.88 77.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' LEU . 30.9 tp -69.59 -61.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.15 -45.38 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -57.55 -41.37 80.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.453 HD22 ' OG ' ' A' ' 28' ' ' SER . 2.8 tt -73.41 -51.28 17.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.496 HD13 HD11 ' A' ' 90' ' ' LEU . 6.4 mt -46.53 -25.79 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 63' ' ' LEU . 4.4 t-20 -53.68 -29.03 36.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.83 -23.6 41.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 1.073 ' HB2' HD22 ' A' ' 24' ' ' LEU . . . -81.08 -27.95 35.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 1.089 HG21 HD22 ' A' ' 90' ' ' LEU . 2.2 p -130.78 -69.17 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.34 12.96 29.77 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.635 HD23 ' HB ' ' A' ' 68' ' ' THR . 1.9 pp -97.32 -171.9 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 72' ' ' LEU . 4.3 mtt180 -88.63 63.67 7.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.975 HD21 HD21 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -40.12 151.41 0.24 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.489 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.01 146.64 32.85 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.436 1.756 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -74.35 -21.99 59.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 78' ' ' PHE . 69.7 p -90.88 1.39 57.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.865 HD11 HG13 ' A' ' 86' ' ' VAL . 1.4 tp -38.43 -60.9 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.852 HG11 ' HD2' ' A' ' 52' ' ' PHE . 82.7 t -84.31 45.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.467 ' N ' ' O ' ' A' ' 75' ' ' THR . 1.1 t80 -153.11 -42.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -93.99 -11.58 30.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.691 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -100.88 131.46 23.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.574 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.464 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -74.98 -45.78 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.459 1.768 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.5 ' C ' ' CE1' ' A' ' 80' ' ' HIS . 0.5 OUTLIER -144.23 175.73 9.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.915 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . . . -57.95 -44.4 86.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.1 -37.51 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.038 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -76.92 -47.69 20.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.865 HG13 HD11 ' A' ' 76' ' ' LEU . 75.1 t -43.99 -43.41 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.496 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -50.75 -54.66 21.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.68 -65.48 3.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.489 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -39.78 -34.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 0.0 111.02 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.089 HD22 HG21 ' A' ' 68' ' ' THR . 22.9 mt -82.18 -50.72 8.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -53.21 -47.97 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.34 -37.05 71.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.75 -21.43 57.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.899 HD11 HG22 ' A' ' 68' ' ' THR . 29.9 mt -87.07 -26.91 23.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 O-C-N 124.455 1.097 . . . . 0.0 110.949 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 18' ' ' THR . 2.4 ttt85 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 18' ' ' THR . . . -41.29 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.31 -40.39 16.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.839 ' O ' HD23 ' A' ' 21' ' ' LEU . 11.0 tpp85 -61.44 -32.58 72.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 14' ' ' ARG . 56.4 m -80.67 -41.1 24.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.33 -39.42 71.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -66.91 -38.71 86.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.839 HD23 ' O ' ' A' ' 17' ' ' ARG . 1.2 mm? -56.47 -46.62 80.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.541 HG22 ' HB2' ' A' ' 87' ' ' ALA . 21.8 t -62.97 -63.97 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -45.31 -36.1 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.266 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.424 ' C ' HD23 ' A' ' 24' ' ' LEU . 9.6 tt -70.65 -55.69 8.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.647 HG21 HG12 ' A' ' 86' ' ' VAL . 24.2 t -49.37 -55.04 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -43.71 -71.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.2 p -53.29 -49.71 66.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.612 ' O ' HG23 ' A' ' 32' ' ' VAL . 31.8 t -49.46 -45.57 46.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.486 HG22 HD22 ' A' ' 50' ' ' LEU . 23.5 m -64.38 -60.83 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.408 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.08 -35.52 47.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.6 m -58.79 -33.86 70.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.365 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 28' ' ' SER . 44.9 t -62.34 -33.88 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.554 HD11 ' O ' ' A' ' 50' ' ' LEU . 2.4 mm? -75.23 -13.25 60.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.68 49.79 4.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.11 169.7 20.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.629 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -139.28 58.49 1.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.35 79.3 66.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.42 18.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.16 -12.6 52.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.87 -6.25 17.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.4 t -109.96 138.73 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.75 173.66 6.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.422 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . . . -89.66 -20.61 23.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -111.59 35.38 3.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -100.78 147.89 34.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.383 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.5 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.1 Cg_endo -74.99 106.54 2.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.558 1.82 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.574 ' CE2' ' O ' ' A' ' 77' ' ' VAL . 18.1 p90 -48.77 -25.34 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -29.19 62.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -81.05 -10.54 59.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.554 ' O ' HD11 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -92.71 28.3 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 39.36 67.2 0.63 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.848 ' CE1' ' HB1' ' A' ' 56' ' ' ALA . 0.6 OUTLIER -125.06 148.99 48.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 0.767 . . . . 0.0 111.006 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -157.62 -85.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' VAL . 22.5 m -117.73 -64.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -63.98 0.96 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.848 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -54.54 -36.6 64.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.454 ' HB2' HG11 ' A' ' 77' ' ' VAL . . . -68.41 -25.79 65.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.7 t -81.81 -54.32 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.552 ' HB3' HG13 ' A' ' 32' ' ' VAL . 1.8 ttt180 -56.02 -23.99 36.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.628 HD12 ' CG2' ' A' ' 77' ' ' VAL . 0.3 OUTLIER -79.11 -62.11 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.68 -38.13 2.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -53.19 -53.23 53.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 1.6 tt -67.3 -36.61 81.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 3.5 mt -51.52 -45.17 62.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -59.55 -22.74 62.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 63' ' ' LEU . . . -86.05 -20.84 28.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . -65.76 -39.0 90.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.7 p -107.85 -41.21 5.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.383 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.78 2.23 39.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.623 HD11 ' HB3' ' A' ' 93' ' ' GLU . 0.8 OUTLIER -111.27 -168.09 1.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -101.39 107.5 18.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.735 HD23 ' HD2' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -107.32 169.18 7.0 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.735 ' HD2' HD23 ' A' ' 72' ' ' LEU . 18.2 Cg_endo -74.97 165.35 31.52 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.8 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.4 p -118.24 -1.4 11.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.8 p -90.14 -23.76 21.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.442 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.011 HD22 ' N ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -45.87 -35.49 4.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.011 ' N ' HD22 ' A' ' 76' ' ' LEU . 2.3 t -49.92 -22.57 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.403 ' N ' ' C ' ' A' ' 76' ' ' LEU . 9.2 t80 -105.41 -21.14 13.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -93.58 -3.85 51.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.88 ' ND1' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -108.29 121.02 44.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.621 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.47 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -75.0 -35.83 2.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.409 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -146.56 163.77 34.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' A' ' 43' ' ' ALA . . . -50.42 -46.15 56.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -39.31 -42.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.997 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.47 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -65.34 -54.9 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.88 HG23 ' ND1' ' A' ' 80' ' ' HIS . 6.8 t -45.77 -43.51 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.541 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -49.59 -51.5 36.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -59.02 -68.14 1.83 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.456 1.098 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.5 -32.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 86' ' ' VAL . 8.4 mp -85.91 -46.05 10.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.486 ' HA ' HD23 ' A' ' 94' ' ' LEU . 1.1 t70 -63.33 -19.71 64.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -90.29 -29.88 17.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.623 ' HB3' HD11 ' A' ' 70' ' ' LEU . 3.2 mm-40 -89.4 -18.87 25.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.708 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -87.23 -29.09 21.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.13 . . . . 0.0 110.989 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.56 -65.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLU . 9.1 tm-20 -53.94 -41.05 67.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -58.5 -51.87 68.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -63.5 -45.52 90.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.02 -22.48 64.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -75.1 -41.76 58.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.82 HD13 ' HB1' ' A' ' 67' ' ' ALA . 1.7 mm? -64.78 -35.05 79.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.041 HG13 HH21 ' A' ' 26' ' ' ARG . 16.9 t -73.69 -70.98 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.32 -29.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' A' ' 67' ' ' ALA . 19.7 tp -78.71 -50.39 11.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 21' ' ' LEU . 9.4 t -54.02 -45.42 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 1.041 HH21 HG13 ' A' ' 22' ' ' VAL . 2.5 ttm-85 -54.02 -61.53 2.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 m -57.08 -48.82 77.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.415 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.638 ' O ' HG23 ' A' ' 32' ' ' VAL . 19.6 m -52.79 -45.48 67.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.958 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.884 HG22 HD22 ' A' ' 50' ' ' LEU . 64.6 m -61.39 -70.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.421 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.4 -38.16 8.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.0 m -54.8 -34.28 62.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 28' ' ' SER . 58.4 t -61.95 -39.89 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.666 HD23 HD23 ' A' ' 50' ' ' LEU . 1.3 mm? -73.11 -19.88 61.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.45 47.89 2.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -149.81 167.22 27.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.593 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -141.33 65.35 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.66 65.37 46.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -19.33 17.96 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -23.36 67.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.5 3.38 54.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.0 t -122.08 128.59 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.449 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -80.07 -174.88 4.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 26' ' ' ARG . . . -92.68 -21.3 20.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -104.87 35.45 2.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.39 148.54 47.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.416 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.5 4.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.507 1.793 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.639 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -62.88 -34.71 77.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.44 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 9.1 tttt -56.99 -27.59 61.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -78.13 -2.95 39.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.223 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.884 HD22 HG22 ' A' ' 29' ' ' THR . 2.0 mp -104.77 31.08 4.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 34.61 72.65 0.1 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.69 ' CE2' HG23 ' A' ' 29' ' ' THR . 2.2 m-30 -117.94 131.3 56.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.652 ' H ' ' HB3' ' A' ' 56' ' ' ALA . 12.6 m-20 -145.25 175.57 10.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' ASP . 4.5 m -39.32 -29.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.043 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.45 ' N ' ' C ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -78.8 -62.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.652 ' HB3' ' H ' ' A' ' 53' ' ' ASP . . . -57.09 -40.66 77.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.71 -34.91 78.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.6 t -71.6 -41.37 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -25.22 56.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.501 HD23 ' CG2' ' A' ' 32' ' ' VAL . 0.4 OUTLIER -77.45 -55.4 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.55 -35.38 20.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -59.36 -35.66 74.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.19 -43.5 19.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.495 ' HG ' HD13 ' A' ' 60' ' ' LEU . 3.5 mt -49.54 -32.81 13.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 69' ' ' GLY . 18.0 m120 -53.42 -25.08 14.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.92 -25.88 43.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.82 ' HB1' HD13 ' A' ' 21' ' ' LEU . . . -82.43 -18.95 40.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.619 HG21 ' HG ' ' A' ' 90' ' ' LEU . 1.8 p -132.7 -74.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 105.84 12.88 25.08 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.553 HD11 HD23 ' A' ' 72' ' ' LEU . 4.0 pp -109.99 -164.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.504 ' N ' HD12 ' A' ' 70' ' ' LEU . 5.0 mmt85 -93.48 74.73 4.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.553 HD23 HD11 ' A' ' 70' ' ' LEU . 13.3 mt -53.38 160.38 1.83 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 151.23 39.36 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 m -79.88 -19.7 47.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 78' ' ' PHE . 39.5 p -90.44 -2.51 57.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.474 HD11 HD11 ' A' ' 90' ' ' LEU . 8.1 tt -40.96 -51.6 3.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.606 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . 57.8 t -87.73 44.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.461 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -155.62 -41.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.28 3.1 53.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.639 ' CE1' ' CG ' ' A' ' 47' ' ' PHE . 2.1 p-80 -104.44 107.46 57.83 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.633 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -14.12 21.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -160.22 176.36 11.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.602 ' HB3' HH12 ' A' ' 26' ' ' ARG . . . -72.06 -49.39 36.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.97 -30.75 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.961 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.03 -51.74 29.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.481 HG23 ' CD2' ' A' ' 80' ' ' HIS . 54.0 t -53.29 -47.2 57.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.487 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -47.09 -45.08 21.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.68 -64.74 3.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.54 -34.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 0.737 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.619 ' HG ' HG21 ' A' ' 68' ' ' THR . 2.5 mp -78.86 -46.27 18.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -57.07 -47.17 81.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.33 -34.26 76.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.527 ' HB3' HD21 ' A' ' 70' ' ' LEU . 3.6 mm-40 -74.25 -25.83 59.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.41 HD11 HG22 ' A' ' 68' ' ' THR . 18.0 mt -88.75 -23.54 22.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.03 -52.91 18.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -64.05 -37.07 86.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.6 tpp85 -59.7 -52.68 64.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 22' ' ' VAL . 32.4 m -63.74 -46.0 87.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.438 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.55 -26.06 66.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' GLU . 23.0 tt0 -76.37 -50.89 13.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.645 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.77 -42.16 92.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 18' ' ' THR . 7.2 t -50.32 -66.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 ttt85 -49.16 -32.79 10.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.607 HD13 ' CB ' ' A' ' 67' ' ' ALA . 0.8 OUTLIER -70.84 -57.28 4.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 21' ' ' LEU . 66.6 t -48.86 -37.18 8.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.438 ' NE ' ' O ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -63.44 -76.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.473 ' O ' ' CB ' ' A' ' 31' ' ' THR . 1.6 p -45.43 -46.41 13.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 31' ' ' THR . 88.5 p -51.08 -48.03 61.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.651 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 85.0 m -62.47 -65.78 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.427 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.83 -25.64 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.473 ' CB ' ' O ' ' A' ' 27' ' ' THR . 1.8 m -71.64 -33.62 69.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.376 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.756 HG12 HD22 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -62.99 -29.75 47.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.756 HD22 HG12 ' A' ' 32' ' ' VAL . 2.4 mm? -70.61 -26.27 63.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.86 28.97 6.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -136.84 150.84 48.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.592 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -126.27 55.8 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.57 84.21 51.57 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -21.4 15.94 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -43.03 -32.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.484 ' C ' HG23 ' A' ' 41' ' ' VAL . . . -104.58 52.32 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.484 HG23 ' C ' ' A' ' 40' ' ' ALA . 91.3 t -156.31 140.27 8.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.438 ' O ' ' NE ' ' A' ' 26' ' ' ARG . 28.4 mtt180 -106.02 -174.08 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.33 -22.2 16.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.8 p -116.14 36.56 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.385 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.426 HG23 ' HD2' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -92.57 142.64 26.07 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.448 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.3 Cg_endo -75.02 129.54 12.41 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.58 ' CE2' HG21 ' A' ' 29' ' ' THR . 3.8 m-85 -68.99 -24.39 64.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -19.82 27.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -99.81 -21.47 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 31.6 mt -67.29 -26.16 66.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.404 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 103.65 65.19 0.7 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.448 1.092 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.651 ' CZ ' HG23 ' A' ' 29' ' ' THR . 3.5 m-85 -128.79 148.53 50.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -146.81 -71.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.277 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.4 m -142.74 -59.01 0.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.45 -39.43 87.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 52' ' ' PHE . . . -72.39 -38.73 68.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.58 -39.22 84.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -72.79 -46.38 53.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.47 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . 5.1 mtp180 -57.88 -30.83 66.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.567 HD23 HG21 ' A' ' 77' ' ' VAL . 26.8 tp -70.49 -49.92 43.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.22 -38.17 85.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 58' ' ' VAL . 17.7 m120 -64.98 -32.03 73.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tt -84.87 -39.15 18.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.494 HD21 ' HA ' ' A' ' 25' ' ' VAL . 8.8 mt -57.9 -18.19 21.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -65.45 -18.32 65.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.07 -15.39 41.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.607 ' CB ' HD13 ' A' ' 24' ' ' LEU . . . -106.39 2.69 26.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.431 HG22 HD21 ' A' ' 21' ' ' LEU . 67.2 p -140.55 -72.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.412 ' N ' ' OG1' ' A' ' 68' ' ' THR . . . 105.01 11.56 29.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.695 HD23 HD21 ' A' ' 94' ' ' LEU . 3.5 pp -113.13 -165.6 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.54 77.9 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.629 HD21 HD23 ' A' ' 90' ' ' LEU . 32.4 mt -50.94 159.93 0.89 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.464 ' HD2' HD12 ' A' ' 76' ' ' LEU . 18.3 Cg_endo -74.94 145.99 32.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.6 p -71.76 -22.58 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.01 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.5 p -90.49 0.9 57.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.328 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.568 ' CD1' HD22 ' A' ' 72' ' ' LEU . 7.7 tt -47.61 -49.75 26.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 77' ' ' VAL . 71.1 t -89.89 20.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.56 5.45 3.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.74 16.56 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.548 ' ND1' ' CG2' ' A' ' 86' ' ' VAL . 0.2 OUTLIER -127.08 134.3 25.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.411 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.4 Cg_endo -74.99 -52.26 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.472 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 0.1 OUTLIER -133.63 -174.26 3.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.248 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.78 -43.16 66.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.66 -34.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.411 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -78.91 -45.78 19.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.563 HG13 HD21 ' A' ' 76' ' ' LEU . 40.6 t -49.67 -46.53 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.1 -55.51 14.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 89' ' ' PHE . . . -50.38 -65.73 2.8 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.6 OUTLIER -37.33 -50.23 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 111.022 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.796 ' C ' HD13 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -64.06 -54.88 27.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.575 ' N ' HD13 ' A' ' 90' ' ' LEU . 9.0 t0 -46.13 -50.06 15.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.52 -36.81 74.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.494 ' OE1' ' CD1' ' A' ' 70' ' ' LEU . 2.4 tt0 -69.66 -27.93 65.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.699 HD12 HD11 ' A' ' 90' ' ' LEU . 34.4 mt -90.21 -21.84 21.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.492 ' CG ' ' OD2' ' A' ' 91' ' ' ASP . 2.3 ttp180 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.33 -67.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -62.1 -41.32 98.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -52.27 46.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.2 m -70.1 -43.58 70.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.381 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.97 -23.67 66.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -82.27 -59.45 2.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.402 HD21 ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -53.44 -50.91 64.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.571 HG12 ' N ' ' A' ' 23' ' ' ARG . 2.6 t -41.4 -74.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.571 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -38.93 -41.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.626 HD21 ' CB ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -65.29 -55.29 19.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.45 ' N ' HD23 ' A' ' 24' ' ' LEU . 71.4 t -42.46 -64.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.642 HH21 ' HB ' ' A' ' 45' ' ' THR . 0.1 OUTLIER -44.1 -45.47 8.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.4 m -62.88 -51.76 65.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.633 ' O ' HG23 ' A' ' 32' ' ' VAL . 17.5 m -55.03 -39.55 69.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.958 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.544 HG23 HD22 ' A' ' 60' ' ' LEU . 2.2 m -60.82 -63.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.17 -38.45 52.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.5 m -57.26 -37.97 73.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 28' ' ' SER . 79.2 t -63.75 -27.12 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.725 HD13 ' O ' ' A' ' 50' ' ' LEU . 12.4 mt -103.01 33.12 3.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 40.4 45.9 3.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.565 1.166 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -135.82 124.78 24.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 109.636 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -114.72 49.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.88 75.56 75.89 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.51 20.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.448 1.762 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -71.95 -12.56 61.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.406 ' C ' HG23 ' A' ' 41' ' ' VAL . . . -112.46 28.37 8.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.406 HG23 ' C ' ' A' ' 40' ' ' ALA . 21.2 t -151.4 125.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.447 ' O ' ' NE ' ' A' ' 26' ' ' ARG . 1.0 OUTLIER -79.57 -176.03 5.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.11 -24.98 18.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 p -106.07 38.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.642 ' HB ' HH21 ' A' ' 26' ' ' ARG . 0.8 OUTLIER -89.34 144.07 31.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.419 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.467 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.1 Cg_endo -75.03 102.59 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.59 ' HA ' HD12 ' A' ' 50' ' ' LEU . 25.2 p90 -48.08 -35.54 11.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -53.56 -21.23 6.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -92.04 -22.42 19.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.725 ' O ' HD13 ' A' ' 33' ' ' LEU . 29.0 mt -65.51 -34.59 78.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.03 38.1 1.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.507 ' CE2' ' O ' ' A' ' 56' ' ' ALA . 2.5 m-85 -101.95 150.3 23.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -150.44 -77.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 58' ' ' VAL . 19.5 m -132.22 -64.12 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.47 -52.28 64.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.598 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -61.42 -37.36 83.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.455 ' HB1' ' HB ' ' A' ' 77' ' ' VAL . . . -69.21 -32.81 72.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.6 t -78.14 -28.24 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -36.51 70.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.544 HD22 HG23 ' A' ' 29' ' ' THR . 18.8 tp -65.49 -55.82 15.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 8.3 ttm180 -50.44 -46.45 56.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -60.68 -25.63 66.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.68 -37.47 16.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.421 ' HB2' HD13 ' A' ' 72' ' ' LEU . 3.4 mt -74.52 -3.78 32.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 69' ' ' GLY . 0.3 OUTLIER -68.28 -37.68 80.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.88 -6.96 57.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.626 ' CB ' HD21 ' A' ' 24' ' ' LEU . . . -87.62 -11.44 48.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.753 HG22 HD11 ' A' ' 94' ' ' LEU . 18.7 p -142.07 -50.43 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.401 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 122.38 -13.06 8.92 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.557 1.16 . . . . 0.0 110.956 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.465 HD23 ' HB ' ' A' ' 68' ' ' THR . 0.6 OUTLIER -98.78 -176.59 3.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.245 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.462 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -98.69 4.7 47.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.888 ' HG ' HD21 ' A' ' 90' ' ' LEU . 0.2 OUTLIER 54.05 167.26 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.552 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.0 142.89 28.39 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.2 p -64.45 -24.93 67.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 79' ' ' ASP . 58.1 p -90.85 2.97 55.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.395 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.822 HD13 ' CD2' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -40.47 -64.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.728 HG12 ' O ' ' A' ' 77' ' ' VAL . 74.2 t -87.45 25.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.1 OUTLIER -138.52 8.25 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.4 OUTLIER -152.15 20.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.658 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -127.82 131.75 23.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.6 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -39.72 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.44 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 0.1 OUTLIER -148.6 -174.01 4.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.461 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . . . -70.54 -44.24 67.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.675 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.9 OUTLIER -38.15 -61.34 0.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.022 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -53.11 -56.12 18.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.658 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 45.0 t -42.11 -39.2 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 84' ' ' SER . . . -53.41 -47.87 69.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -65.35 -58.31 9.74 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.552 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.8 OUTLIER -42.0 -32.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 110.964 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.888 HD21 ' HG ' ' A' ' 72' ' ' LEU . 6.0 mt -83.86 -54.23 5.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.492 ' OD2' ' CG ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -48.43 -49.34 35.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.36 -38.49 68.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.38 -26.02 62.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.753 HD11 HG22 ' A' ' 68' ' ' THR . 10.9 mt -86.43 -25.03 25.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.863 HH21 HH21 ' A' ' 17' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.03 -72.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 20' ' ' GLU . 5.8 tm-20 -51.29 -52.03 48.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.863 HH21 HH21 ' A' ' 14' ' ' ARG . 0.2 OUTLIER -48.61 -43.58 36.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.261 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.1 m -73.7 -38.32 64.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.5 -22.1 63.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' GLU . 3.5 tt0 -84.27 -45.92 12.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.447 ' O ' HG12 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -55.27 -57.61 11.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.568 ' CG2' ' HB2' ' A' ' 87' ' ' ALA . 2.9 t -57.04 -46.71 84.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -31.44 71.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.747 ' CD1' ' HB2' ' A' ' 67' ' ' ALA . 0.7 OUTLIER -77.57 -68.57 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.566 HG21 ' CG1' ' A' ' 86' ' ' VAL . 13.5 p -37.76 -54.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.682 HH22 HD11 ' A' ' 50' ' ' LEU . 4.3 tpt85 -54.99 -71.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.1 m -42.15 -40.61 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.407 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.926 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.2 t -62.89 -42.62 99.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.064 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.574 HG23 ' CE2' ' A' ' 52' ' ' PHE . 98.4 m -60.2 -69.5 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.372 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.424 ' HA ' HD23 ' A' ' 33' ' ' LEU . . . -49.49 -25.61 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 28' ' ' SER . 1.2 m -71.81 -33.35 68.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.926 HG23 ' O ' ' A' ' 28' ' ' SER . 11.3 t -70.62 -18.72 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.038 HD11 ' O ' ' A' ' 50' ' ' LEU . 4.4 mm? -74.27 -35.77 63.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.15 28.56 4.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -138.66 172.65 12.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.419 0.717 . . . . 0.0 109.602 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -140.6 77.73 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.63 85.71 2.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.406 ' C ' ' N ' ' A' ' 40' ' ' ALA . 18.2 Cg_endo -75.07 -19.57 17.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.44 1.758 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -48.13 -24.12 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 38' ' ' PRO . . . -101.23 47.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.525 HG11 ' CG ' ' A' ' 26' ' ' ARG . 74.0 t -136.98 146.14 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.68 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -118.67 -8.38 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 84.34 -50.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.474 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 19.5 p -89.65 40.36 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.393 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -95.3 145.68 29.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.384 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.496 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -74.96 101.52 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.936 ' HA ' HD12 ' A' ' 50' ' ' LEU . 9.6 p90 -47.16 -33.98 5.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.097 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -54.0 -23.52 13.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -89.64 -21.54 22.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.038 ' O ' HD11 ' A' ' 33' ' ' LEU . 17.7 mt -72.9 -4.79 34.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.35 60.79 3.64 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.574 ' CE2' HG23 ' A' ' 29' ' ' THR . 0.8 OUTLIER -115.51 129.08 56.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 0.801 . . . . 0.0 110.992 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 54' ' ' SER . 64.0 m-20 -133.75 174.17 10.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 53' ' ' ASP . 33.6 m -35.29 -35.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -69.42 -69.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.78 -41.26 70.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.644 ' HB1' ' CG1' ' A' ' 77' ' ' VAL . . . -59.92 -30.02 68.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.5 t -80.34 -50.38 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -60.24 -14.91 20.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.25 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.879 HD12 HG21 ' A' ' 32' ' ' VAL . 4.6 tp -86.87 -56.02 3.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.459 ' NH1' ' O ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -47.17 -42.16 19.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -67.86 -31.41 71.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.085 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.4 tt -81.67 -27.18 34.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -69.64 -28.38 65.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -57.38 -20.1 27.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.24 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.33 -20.57 23.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.747 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . . . -81.96 -29.44 32.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.827 HG22 HD11 ' A' ' 94' ' ' LEU . 1.1 p -116.27 -70.64 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.56 -0.96 10.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.457 HD11 ' HG2' ' A' ' 93' ' ' GLU . 3.4 pp -117.11 -174.47 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.1 103.49 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.652 HD11 ' HG ' ' A' ' 90' ' ' LEU . 29.9 mt -89.75 161.54 38.57 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.769 ' O ' HD23 ' A' ' 76' ' ' LEU . 18.3 Cg_endo -74.99 130.96 13.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.462 1.77 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.9 p -73.14 -10.83 60.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.023 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 79' ' ' ASP . 45.0 p -90.13 -7.37 53.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.406 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.769 HD23 ' O ' ' A' ' 73' ' ' PRO . 2.5 pp -57.19 -45.59 83.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.811 HG21 HD22 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -80.64 5.31 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -119.02 -13.71 9.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 75' ' ' THR . 13.8 t70 -114.66 -24.82 8.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.644 ' CE1' ' CG2' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -89.54 125.92 59.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.562 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -42.28 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.474 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -130.2 162.58 28.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -64.17 -40.11 95.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.01 -29.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -80.25 -50.86 9.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.644 ' CG2' ' CE1' ' A' ' 80' ' ' HIS . 79.5 t -42.54 -49.22 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.568 ' HB2' ' CG2' ' A' ' 22' ' ' VAL . . . -40.73 -57.0 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.24 -57.44 19.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.145 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.21 -33.52 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.652 ' HG ' HD11 ' A' ' 72' ' ' LEU . 9.4 mp -84.32 -50.51 7.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -52.85 -49.76 65.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.1 -27.56 69.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.565 ' OE1' HD23 ' A' ' 72' ' ' LEU . 2.9 tt0 -81.96 -23.92 35.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.827 HD11 HG22 ' A' ' 68' ' ' THR . 9.9 mt -87.98 -24.9 23.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.6 -70.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' GLU . 25.0 tp10 -43.24 -43.54 4.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.575 HH21 HD11 ' A' ' 21' ' ' LEU . 7.7 tpt180 -56.58 -55.41 34.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.402 ' OG1' ' CG ' ' A' ' 91' ' ' ASP . 18.7 m -55.76 -43.94 77.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.362 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.94 -16.92 61.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' GLU . 2.6 tt0 -85.55 -36.77 20.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.575 HD11 HH21 ' A' ' 17' ' ' ARG . 0.4 OUTLIER -75.72 -39.61 57.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.658 HG21 ' HA ' ' A' ' 84' ' ' SER . 0.3 OUTLIER -62.87 -43.81 99.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -42.81 76.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 tt -74.84 -39.45 61.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.504 HG11 ' CG1' ' A' ' 86' ' ' VAL . 3.4 t -62.48 -23.3 31.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.76 -47.11 15.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.1 m -68.82 -34.93 76.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.454 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.998 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -67.28 -53.83 26.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.018 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.6 m -48.75 -61.43 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.415 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.97 -36.94 68.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.8 m -65.39 -38.08 88.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.417 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.998 HG23 ' O ' ' A' ' 28' ' ' SER . 23.9 t -61.54 -41.83 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.043 HD11 HD13 ' A' ' 50' ' ' LEU . 14.6 mt -68.57 -22.41 64.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.17 42.37 3.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -139.42 125.98 20.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.63 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -102.29 64.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -153.86 93.85 2.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -22.46 14.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.777 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -17.52 62.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.19 30.34 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.3 p -171.23 151.76 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -116.1 177.45 4.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.01 -23.45 33.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 p -104.85 32.18 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.763 HG23 ' HD2' ' A' ' 46' ' ' PRO . 2.0 m -96.2 147.07 32.4 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.763 ' HD2' HG23 ' A' ' 45' ' ' THR . 18.2 Cg_endo -75.01 131.74 14.61 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.46 1.768 . . . . 0.0 110.956 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.636 ' CD1' ' N ' ' A' ' 48' ' ' LYS . 22.0 p90 -69.53 -47.35 64.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.636 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 9.2 tttt -57.91 -16.77 13.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.461 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . 5.3 tp10 -82.24 -38.17 24.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.339 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.043 HD13 HD11 ' A' ' 33' ' ' LEU . 4.6 pp -89.61 -11.65 42.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.624 ' O ' HD21 ' A' ' 33' ' ' LEU . . . 92.13 118.12 2.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.822 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -178.86 125.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 110.996 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 55' ' ' LEU . 15.0 m-20 -150.88 -177.01 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.634 ' O ' HG23 ' A' ' 58' ' ' VAL . 75.7 m -36.85 -32.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.049 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -71.05 -67.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.822 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -56.4 -41.78 76.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.49 ' HB2' ' HB ' ' A' ' 77' ' ' VAL . . . -61.72 -34.63 76.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 54' ' ' SER . 1.7 t -67.05 -52.21 46.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -28.71 66.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.535 ' HB2' HG21 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -77.44 -53.74 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.455 ' HD3' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -48.86 -35.62 15.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -58.97 -27.66 65.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.1 tt -90.26 -45.69 8.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.478 HD13 HD11 ' A' ' 90' ' ' LEU . 9.0 mt -48.81 -24.59 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -55.22 -27.78 48.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.8 -22.74 36.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.24 -26.24 30.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.669 HG21 HD11 ' A' ' 72' ' ' LEU . 8.1 p -123.89 -69.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.386 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.78 16.48 33.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.683 HD21 HD23 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -128.73 -177.47 4.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.93 94.71 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.669 HD11 HG21 ' A' ' 68' ' ' THR . 14.5 mt -81.93 160.99 62.22 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.778 ' O ' HD23 ' A' ' 76' ' ' LEU . 18.3 Cg_endo -74.95 124.14 8.43 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.483 1.781 . . . . 0.0 111.053 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.5 p -62.27 -13.43 28.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 78' ' ' PHE . 52.5 p -90.08 -9.38 48.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.778 HD23 ' O ' ' A' ' 73' ' ' PRO . 2.2 pp -45.56 -42.42 10.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.767 HG12 ' O ' ' A' ' 77' ' ' VAL . 78.1 t -89.58 39.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -153.61 -42.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.02 -11.95 48.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 1.025 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -97.39 111.98 59.86 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.598 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.454 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.02 -12.53 21.48 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.527 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 14.5 m-80 -163.47 160.58 23.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -51.99 -53.33 42.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.658 ' HA ' HG21 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -42.0 -27.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.009 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 82' ' ' ASN . . . -81.26 -47.14 13.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 1.025 HG23 ' CG ' ' A' ' 80' ' ' HIS . 1.0 OUTLIER -54.99 -52.08 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.59 ' HB2' HG23 ' A' ' 22' ' ' VAL . . . -42.7 -57.7 2.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.36 -59.51 8.27 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.04 -32.51 9.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.617 HD22 HD22 ' A' ' 72' ' ' LEU . 5.8 mt -80.19 -38.59 30.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.402 ' CG ' ' OG1' ' A' ' 18' ' ' THR . 4.8 t70 -65.85 -45.23 82.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.48 -36.0 81.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.67 -23.0 49.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.683 HD23 HD21 ' A' ' 70' ' ' LEU . 32.7 mt -82.71 -28.49 30.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.69 -68.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' GLU . 30.3 tt0 -51.06 -43.66 61.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.0 tpp85 -56.67 -54.79 42.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.649 ' O ' HG23 ' A' ' 22' ' ' VAL . 19.8 m -64.62 -45.98 84.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.16 -20.97 66.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' GLU . 2.9 tt0 -83.61 -58.17 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.354 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -55.2 -38.45 68.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 18' ' ' THR . 8.0 t -52.87 -65.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mtm105 -45.17 -42.54 9.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tt -67.82 -41.23 83.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 21' ' ' LEU . 37.9 t -63.39 -55.99 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.405 ' HD3' ' N ' ' A' ' 43' ' ' ALA . 23.9 mtm180 -45.16 -53.77 7.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.9 m -68.87 -49.36 58.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.76 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.8 m -48.89 -54.28 16.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.05 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.788 HG21 ' CZ ' ' A' ' 47' ' ' PHE . 2.5 m -56.6 -59.0 5.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.74 -37.95 60.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.9 m -62.1 -40.75 96.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.38 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 28' ' ' SER . 62.7 t -55.51 -20.69 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.696 ' CD2' HD11 ' A' ' 50' ' ' LEU . 4.3 mm? -99.16 29.93 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.56 49.21 11.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -136.63 134.67 37.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 109.614 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.61 73.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.71 120.51 0.31 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.603 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.4 Cg_endo -74.98 -15.32 20.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.525 1.803 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -50.39 -22.8 2.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.64 34.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 38' ' ' PRO . 4.7 p -174.58 141.91 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.649 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -128.81 20.81 5.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 81.04 -52.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.6 p -93.94 42.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.19 144.94 29.61 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 102.5 1.6 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.498 1.789 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.788 ' CZ ' HG21 ' A' ' 29' ' ' THR . 3.2 m-85 -46.85 -48.83 20.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -51.98 7.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.59 -34.08 77.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.802 ' O ' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -64.33 -30.4 71.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.406 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 98.45 105.39 2.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.541 ' CD1' HD21 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -156.95 136.35 12.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.983 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.772 ' H ' ' HB3' ' A' ' 56' ' ' ALA . 4.8 m-20 -134.79 170.17 16.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 53' ' ' ASP . 3.3 m -38.04 -30.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.036 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -78.6 -56.0 4.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.772 ' HB3' ' H ' ' A' ' 53' ' ' ASP . . . -62.17 -44.96 95.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.445 ' HB2' HG11 ' A' ' 77' ' ' VAL . . . -57.95 -35.86 71.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.401 ' O ' ' CG ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -68.83 -51.75 41.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.675 ' HB3' HG13 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -48.24 -43.25 32.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.673 HD22 HG23 ' A' ' 29' ' ' THR . 56.5 tp -63.14 -57.29 11.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.403 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -49.3 -38.72 28.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.482 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 2.7 m120 -68.27 -47.98 66.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -59.33 5.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 4.0 mt -52.21 -21.57 3.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 62' ' ' ASN . 8.3 t-20 -55.24 -28.6 54.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.44 11.6 21.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.04 3.67 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 1.075 HG21 HD21 ' A' ' 72' ' ' LEU . 32.4 p -133.88 -62.8 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.19 -5.06 10.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.473 HD11 ' OE2' ' A' ' 93' ' ' GLU . 0.4 OUTLIER -118.88 -170.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.747 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -92.45 4.47 53.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 1.075 HD21 HG21 ' A' ' 68' ' ' THR . 85.1 mt 56.32 158.16 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.94 12.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.1 p -59.22 -17.13 25.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 79' ' ' ASP . 67.8 p -90.43 -5.79 55.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.722 ' CD2' HG23 ' A' ' 77' ' ' VAL . 7.3 tt -45.89 -58.13 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 77' ' ' VAL . 44.9 t -90.33 23.28 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.17 7.97 2.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -151.95 20.35 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.657 ' CE1' ' CE2' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -128.9 129.2 23.44 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.608 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.472 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -75.01 -46.75 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.482 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 31.2 m-20 -136.15 -174.67 3.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.462 ' HB1' HG12 ' A' ' 25' ' ' VAL . . . -70.67 -45.17 65.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.57 -26.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.472 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -84.9 -43.81 13.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.485 HG23 ' CG ' ' A' ' 80' ' ' HIS . 20.5 t -50.1 -49.96 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -48.78 -52.44 23.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.26 -58.27 11.28 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -37.56 44.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.053 HD22 HD22 ' A' ' 72' ' ' LEU . 27.9 mt -76.39 -37.08 57.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -68.1 -46.24 71.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.17 77.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.473 ' OE2' HD11 ' A' ' 70' ' ' LEU . 1.6 tt0 -78.3 -21.89 48.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.405 HD21 ' HA ' ' A' ' 68' ' ' THR . 15.8 mt -83.06 -28.87 29.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.1 -45.26 3.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 4.0 mm-40 -75.75 -38.53 58.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.514 ' NH2' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -61.57 -34.12 75.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.4 m -85.17 -43.67 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.9 -32.55 73.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 6.3 tt0 -68.55 -54.41 16.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.9 ' HA ' HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -58.73 -30.09 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.613 HG12 ' N ' ' A' ' 23' ' ' ARG . 2.7 t -59.21 -77.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.613 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -45.34 -26.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.941 HD21 ' HB1' ' A' ' 67' ' ' ALA . 0.1 OUTLIER -75.18 -54.45 7.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 21' ' ' LEU . 12.8 t -50.61 -29.15 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -65.14 -47.06 78.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.5 m -69.38 -48.3 61.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.73 ' O ' HG23 ' A' ' 32' ' ' VAL . 46.7 p -50.7 -46.0 58.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.019 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.554 HG22 HD13 ' A' ' 50' ' ' LEU . 27.1 m -63.47 -61.81 2.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.445 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.939 ' HB2' HG21 ' A' ' 41' ' ' VAL . . . -48.72 -32.67 8.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.9 m -67.2 -34.43 77.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.415 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.822 HG13 ' HB3' ' A' ' 59' ' ' ARG . 60.2 t -64.45 -34.18 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.358 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.715 HD21 ' HB3' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -78.15 -10.92 59.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.24 23.93 42.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' ASP . 22.9 m170 -87.43 -6.96 58.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.64 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' HIS . 11.4 m-20 38.96 76.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -172.64 83.75 0.43 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -19.85 17.4 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 110.954 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -74.13 -15.31 61.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.6 17.7 17.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.939 HG21 ' HB2' ' A' ' 30' ' ' ALA . 87.4 t -123.59 157.86 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.52 -177.76 4.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.441 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . . . -98.05 -26.3 14.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.8 p -115.91 45.31 1.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 110.398 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.786 HG23 ' HD2' ' A' ' 46' ' ' PRO . 2.0 m -110.8 147.16 35.91 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 0.0 110.401 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.786 ' HD2' HG23 ' A' ' 45' ' ' THR . 18.3 Cg_endo -74.99 98.2 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.458 1.767 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.507 ' HA ' HD12 ' A' ' 50' ' ' LEU . 5.2 p90 -48.4 -35.16 12.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.162 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.444 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.5 ttmt -49.33 -34.12 14.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -71.16 -33.35 69.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.715 ' HB3' HD21 ' A' ' 33' ' ' LEU . 53.4 mt -53.89 -36.13 62.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.352 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.04 58.34 0.42 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.429 1.081 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.439 ' HE2' HD22 ' A' ' 60' ' ' LEU . 2.4 m-30 -112.14 153.72 26.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -158.23 -76.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 58' ' ' VAL . 14.8 m -132.8 -61.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -55.79 29.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.535 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -65.06 -27.63 68.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.626 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -75.52 -28.58 59.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' SER . 3.6 t -89.21 -26.37 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.822 ' HB3' HG13 ' A' ' 32' ' ' VAL . 5.2 mtt180 -64.09 -42.59 96.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.638 ' HB2' HG21 ' A' ' 32' ' ' VAL . 48.5 tp -66.65 -59.08 3.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 5.9 tmm_? -50.09 -25.75 3.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -77.24 -45.61 25.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.522 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -71.79 -46.71 57.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.664 HD21 ' OG ' ' A' ' 28' ' ' SER . 8.5 mt -57.33 -21.29 34.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -54.81 -18.92 5.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.46 -18.51 21.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.941 ' HB1' HD21 ' A' ' 24' ' ' LEU . . . -94.94 7.2 46.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.504 ' HA ' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -143.02 -71.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.423 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.89 -14.33 5.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.777 ' N ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -108.46 -170.99 1.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 0.754 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 14.0 mtt180 -98.25 3.41 48.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.847 HD21 ' HG ' ' A' ' 90' ' ' LEU . 12.5 mt 53.83 163.42 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.87 15.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.9 p -54.85 -23.16 17.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 78' ' ' PHE . 51.9 m -81.13 -11.77 59.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.418 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.758 ' CD1' HD22 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -39.85 -55.32 2.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.297 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.77 HG12 ' O ' ' A' ' 77' ' ' VAL . 54.2 t -84.7 44.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 75' ' ' THR . 2.4 t80 -154.21 -42.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.438 ' HB2' HG22 ' A' ' 75' ' ' THR . 1.3 t70 -94.03 -11.05 31.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.703 ' CG ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -98.98 109.67 54.81 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.575 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -44.37 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.474 1.776 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.572 ' O ' HG23 ' A' ' 86' ' ' VAL . 9.2 m-80 -133.0 -177.11 4.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 43' ' ' ALA . . . -70.04 -46.59 64.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.93 -38.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.66 -43.89 29.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.703 HG22 ' CG ' ' A' ' 80' ' ' HIS . 79.1 t -51.67 -44.97 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.595 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -46.63 -57.55 4.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -55.78 -65.3 3.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER -37.67 -38.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.989 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.847 ' HG ' HD21 ' A' ' 72' ' ' LEU . 6.3 mp -75.68 -50.37 15.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 88' ' ' GLY . 6.2 t0 -52.17 -43.71 64.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.38 83.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.99 -28.34 66.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.514 HD22 ' NH2' ' A' ' 17' ' ' ARG . 2.3 mt -90.15 -21.34 22.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.84 23.85 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -129.77 -43.92 1.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.615 ' NE ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -74.08 -33.53 63.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.408 ' OG1' ' OD1' ' A' ' 91' ' ' ASP . 26.3 m -86.88 -51.66 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.47 -17.23 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 2.0 tt0 -86.28 -63.39 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.808 HD21 ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -56.31 -34.85 66.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.541 HG22 ' HB2' ' A' ' 87' ' ' ALA . 18.2 t -64.93 -60.66 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -53.44 -19.83 4.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.344 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.607 HD21 ' CB ' ' A' ' 67' ' ' ALA . 2.8 tp -90.04 -53.73 4.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.85 HG21 ' CG1' ' A' ' 86' ' ' VAL . 0.3 OUTLIER -52.78 -38.1 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -65.59 -45.07 84.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.475 ' O ' ' CB ' ' A' ' 31' ' ' THR . 92.5 m -69.86 -35.06 74.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.771 ' O ' HG12 ' A' ' 32' ' ' VAL . 66.8 m -68.05 -49.67 59.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.842 ' O ' HD12 ' A' ' 33' ' ' LEU . 23.6 m -61.19 -35.48 77.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.417 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 35' ' ' HIS . . . -80.61 -36.49 32.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.475 ' CB ' ' O ' ' A' ' 27' ' ' THR . 3.2 m -68.16 -53.93 21.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.368 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.771 HG12 ' O ' ' A' ' 28' ' ' SER . 7.7 p -48.32 -36.63 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.842 HD12 ' O ' ' A' ' 29' ' ' THR . 0.7 OUTLIER -90.92 34.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' THR . . . 43.18 55.99 4.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.505 ' CB ' ' O ' ' A' ' 30' ' ' ALA . 0.9 OUTLIER -133.21 128.23 35.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 0.791 . . . . 0.0 109.566 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -122.34 26.17 8.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.26 78.88 44.27 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.427 ' HA ' ' HB ' ' A' ' 41' ' ' VAL . 18.2 Cg_endo -74.95 -18.77 18.59 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.08 -29.69 67.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.35 14.78 25.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.427 ' HB ' ' HA ' ' A' ' 38' ' ' PRO . 18.3 t -117.79 149.49 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -125.08 169.77 11.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.403 ' O ' ' OG ' ' A' ' 84' ' ' SER . . . -77.3 -34.28 55.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.472 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 10.9 p -99.71 36.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.61 151.05 49.84 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.438 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 124.94 8.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 80' ' ' HIS . 18.1 p90 -78.59 -44.5 23.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.591 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 26.3 tttt -60.51 -16.51 37.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -75.51 -32.91 60.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.577 HD13 HG22 ' A' ' 29' ' ' THR . 1.6 mt -69.6 -28.04 65.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.96 42.71 0.7 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.767 ' CZ ' HD13 ' A' ' 60' ' ' LEU . 1.6 m-85 -106.0 144.5 32.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -160.73 -78.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.524 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -116.85 -80.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.031 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.84 -66.1 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.441 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -55.77 -33.92 64.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.362 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 54' ' ' SER . . . -64.79 -32.25 73.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 54' ' ' SER . 0.4 OUTLIER -81.38 -39.08 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -57.21 -37.1 71.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.767 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 6.2 tp -64.07 -65.55 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.429 ' CD ' ' HB2' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -39.94 -41.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 58' ' ' VAL . 24.2 m120 -58.69 -48.43 81.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 60' ' ' LEU . 2.0 tt -73.98 -46.77 41.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.785 HD12 HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -46.62 -33.39 4.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' GLY . 29.8 m120 -52.12 -32.26 34.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.09 -23.88 47.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.607 ' CB ' HD21 ' A' ' 24' ' ' LEU . . . -80.7 -19.33 45.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.859 HG21 HD12 ' A' ' 90' ' ' LEU . 34.7 p -143.01 -68.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 110.4 7.59 26.11 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.834 HD22 ' HG2' ' A' ' 93' ' ' GLU . 4.6 pp -96.24 178.44 5.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.767 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -87.67 79.71 8.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 1.044 HD23 HD13 ' A' ' 76' ' ' LEU . 1.5 mp -50.77 152.69 3.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.577 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -74.99 147.28 33.75 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -72.85 -20.94 61.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 78' ' ' PHE . 50.0 p -86.38 -7.42 58.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.044 HD13 HD23 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -40.0 -58.8 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.959 HG23 HD23 ' A' ' 76' ' ' LEU . 70.0 t -83.38 45.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 75' ' ' THR . 2.0 t80 -153.75 -41.99 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.85 -16.0 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.885 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -93.32 114.58 63.23 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.62 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.2 2.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.472 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -141.12 177.58 7.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.788 ' HB1' ' CG1' ' A' ' 25' ' ' VAL . . . -59.99 -43.17 95.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.649 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -38.35 -66.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -47.36 -54.96 9.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.885 HG23 ' CG ' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -45.75 -38.78 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 84' ' ' SER . . . -59.21 -43.94 92.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -64.38 -63.34 4.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.577 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -39.44 -35.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 0.721 . . . . 0.0 110.978 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.859 HD12 HG21 ' A' ' 68' ' ' THR . 4.6 mm? -81.77 -52.47 7.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.408 ' OD1' ' OG1' ' A' ' 18' ' ' THR . 1.7 t70 -52.94 -49.25 66.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.57 -38.04 71.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.354 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.834 ' HG2' HD22 ' A' ' 70' ' ' LEU . 0.7 OUTLIER -79.49 -20.9 46.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.615 HD13 ' NE ' ' A' ' 17' ' ' ARG . 40.8 mt -80.61 -30.27 36.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.534 1.146 . . . . 0.0 111.025 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.03 -64.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 20' ' ' GLU . 49.1 mm-40 -42.81 -48.99 5.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -42.55 97.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.472 ' O ' HG23 ' A' ' 22' ' ' VAL . 16.5 m -64.43 -42.25 96.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.91 -27.64 54.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.5 tt0 -70.43 -49.32 50.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.732 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -65.41 -43.7 89.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 18' ' ' THR . 2.7 t -50.53 -60.89 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -38.94 44.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.402 ' C ' ' N ' ' A' ' 26' ' ' ARG . 7.9 tt -68.25 -56.68 7.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 21' ' ' LEU . 67.4 t -45.49 -28.2 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.452 ' NH2' ' HA ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -70.43 -74.53 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.6 p -49.05 -58.2 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.882 ' O ' HG23 ' A' ' 32' ' ' VAL . 37.3 p -43.7 -52.21 6.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.658 HG23 ' CE2' ' A' ' 52' ' ' PHE . 3.3 m -53.61 -70.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.358 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.33 -38.75 9.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 28' ' ' SER . 2.1 m -61.31 -38.61 87.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.364 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 28' ' ' SER . 93.3 t -59.81 -38.38 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 50' ' ' LEU . 21.4 mt -66.47 -23.1 66.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.72 29.97 7.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -124.37 171.65 9.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 109.568 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -142.2 69.52 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -163.22 99.7 1.01 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -13.93 21.35 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.547 1.814 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -54.2 -24.21 17.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.472 ' C ' HG23 ' A' ' 41' ' ' VAL . . . -91.9 38.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.621 HG12 ' H ' ' A' ' 43' ' ' ALA . 93.7 t -155.61 135.98 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.545 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -118.92 26.74 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.621 ' H ' HG12 ' A' ' 41' ' ' VAL . . . 73.93 -57.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.49 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 1.4 m -96.08 42.17 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.94 159.31 54.75 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 106.4 2.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.494 1.786 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.7 ' HA ' HD12 ' A' ' 50' ' ' LEU . 7.3 p90 -56.9 -43.16 81.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.568 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 14.4 tttp -49.98 -36.63 28.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.32 -35.53 54.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.7 HD12 ' HA ' ' A' ' 47' ' ' PHE . 37.0 mt -52.74 -27.07 16.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.8 35.34 3.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.129 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.921 ' CE2' HD22 ' A' ' 60' ' ' LEU . 3.8 m-30 -111.42 139.15 47.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -157.25 -56.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 57' ' ' ALA . 73.2 m -142.99 -75.75 0.26 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.14 -55.63 3.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.837 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -59.1 -38.7 80.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.526 ' HB2' HG11 ' A' ' 77' ' ' VAL . . . -66.1 -29.68 70.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -76.76 -41.14 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.537 ' HB3' HG13 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -75.96 -31.81 59.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.921 HD22 ' CE2' ' A' ' 52' ' ' PHE . 5.6 tp -75.6 -28.08 58.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.936 ' NH2' HD13 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -74.07 -56.42 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -47.73 -27.97 2.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.345 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.2 OUTLIER -90.8 -60.68 1.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 68' ' ' THR . 8.7 mt -45.88 -30.68 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -60.13 -41.36 92.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -77.08 -2.86 36.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.728 ' O ' HD21 ' A' ' 21' ' ' LEU . . . -113.01 -4.35 13.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.977 HG21 ' CD1' ' A' ' 72' ' ' LEU . 20.0 p -118.35 -59.24 1.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.382 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.84 5.24 51.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.447 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -131.73 -169.36 2.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 0.758 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -112.2 79.06 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.977 ' CD1' HG21 ' A' ' 68' ' ' THR . 0.3 OUTLIER -50.03 166.85 0.26 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.624 ' O ' HD23 ' A' ' 76' ' ' LEU . 18.1 Cg_endo -75.04 125.69 9.46 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 97.7 p -53.89 -20.62 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.8 p -87.54 -5.5 58.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.889 HD21 ' NH1' ' A' ' 61' ' ' ARG . 2.3 pp -47.78 -42.98 27.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.755 HG12 ' O ' ' A' ' 77' ' ' VAL . 78.9 t -83.81 37.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -151.17 -40.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.4 -10.56 37.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.967 ' CD2' HG23 ' A' ' 86' ' ' VAL . 1.8 p-80 -90.61 121.58 68.12 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.585 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -22.67 14.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.768 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.49 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -161.83 167.98 23.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.676 ' HB1' HG12 ' A' ' 25' ' ' VAL . . . -56.58 -48.31 77.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.58 -27.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.454 ' N ' ' C ' ' A' ' 83' ' ' ALA . . . -79.09 -53.1 7.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.967 HG23 ' CD2' ' A' ' 80' ' ' HIS . 27.4 t -42.55 -51.53 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.625 ' HA ' HD21 ' A' ' 90' ' ' LEU . . . -57.35 -40.33 77.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -57.56 -51.11 59.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.538 ' CE2' ' HG3' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -55.88 -58.45 7.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 111.001 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.709 ' HB3' HD11 ' A' ' 72' ' ' LEU . 1.4 pp -54.58 -48.52 72.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.456 ' N ' HD12 ' A' ' 90' ' ' LEU . 19.7 t0 -42.4 -56.6 2.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.6 -38.23 59.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.2 mt-10 -73.06 -23.96 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.786 HD21 ' O ' ' A' ' 68' ' ' THR . 51.4 mt -89.5 -24.1 21.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.145 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.78 -58.55 6.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -61.39 -51.84 67.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -51.4 -55.6 17.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 m -62.09 -43.0 99.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.364 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.24 -19.25 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLU . 3.0 tt0 -89.13 -46.53 8.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.578 HD11 HG23 ' A' ' 68' ' ' THR . 0.8 OUTLIER -62.33 -39.81 94.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.442 ' C ' ' N ' ' A' ' 24' ' ' LEU . 25.5 t -65.84 -70.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -38.61 -30.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.46 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -72.78 -58.15 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.971 HG23 HD21 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -57.03 -28.52 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.529 ' NH1' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -67.38 -67.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.502 HG22 ' OD1' ' A' ' 36' ' ' ASP . 1.2 p -55.4 -40.89 71.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 32' ' ' VAL . 56.6 m -64.74 -40.17 94.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.45 ' HA ' HD13 ' A' ' 60' ' ' LEU . 1.9 m -61.67 -71.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.455 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.794 ' HA ' HD23 ' A' ' 33' ' ' LEU . . . -48.04 -32.3 6.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 28' ' ' SER . 1.3 m -60.63 -32.41 71.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 28' ' ' SER . 54.4 t -68.43 -12.86 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.032 HD21 ' CD1' ' A' ' 50' ' ' LEU . 1.9 mm? -100.9 -17.75 16.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.7 -39.68 2.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -86.45 149.88 24.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.607 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.502 ' OD1' HG22 ' A' ' 27' ' ' THR . 61.1 t0 -109.01 -30.18 8.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -49.17 106.24 0.6 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -25.36 11.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.31 -30.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.3 49.71 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.087 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -178.04 157.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.437 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -124.03 165.83 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.87 -35.95 62.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.475 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 2.1 m -101.35 36.67 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.459 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -90.94 146.73 34.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.387 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 45' ' ' THR . 18.2 Cg_endo -75.0 111.59 3.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.967 ' HA ' HD23 ' A' ' 50' ' ' LEU . 31.8 p90 -56.81 -37.59 71.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.505 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -57.36 -19.56 23.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -94.87 -33.61 12.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.032 ' CD1' HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -64.23 -28.05 69.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.51 44.65 0.89 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.772 ' CE1' HD11 ' A' ' 50' ' ' LEU . 2.3 m-30 -118.32 140.73 49.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 0.747 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -159.99 -78.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 58' ' ' VAL . 50.4 m -123.03 -73.72 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -44.32 -56.56 4.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 52' ' ' PHE . . . -63.11 -34.32 77.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.49 -29.49 69.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.3 t -76.9 -50.96 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.72 -35.15 65.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.618 HD22 ' HE2' ' A' ' 52' ' ' PHE . 10.1 tp -73.14 -53.36 11.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -47.04 -30.34 2.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -76.14 -36.67 58.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -78.95 -52.88 7.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.971 HD21 HG23 ' A' ' 25' ' ' VAL . 4.0 mt -50.91 -37.4 43.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.514 ' N ' ' NH2' ' A' ' 61' ' ' ARG . 1.4 m-20 -57.73 -20.04 31.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.69 -19.13 21.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.439 ' CB ' ' HG ' ' A' ' 24' ' ' LEU . . . -68.0 -24.94 65.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 1.055 HG21 HD11 ' A' ' 90' ' ' LEU . 1.9 p -127.76 -42.89 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.398 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.07 8.14 48.38 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.486 ' C ' HD12 ' A' ' 70' ' ' LEU . 1.4 pp -112.29 174.56 5.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -94.32 104.64 16.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 1.073 HD11 HD13 ' A' ' 90' ' ' LEU . 11.3 mt -85.29 166.7 29.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 72' ' ' LEU . 18.3 Cg_endo -74.98 146.59 32.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.6 p -70.36 -21.99 62.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 78' ' ' PHE . 80.8 p -77.07 -12.53 59.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.694 HD21 ' CG2' ' A' ' 86' ' ' VAL . 6.9 tt -39.85 -50.48 2.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 77' ' ' VAL . 73.1 t -86.25 43.16 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.509 ' N ' ' O ' ' A' ' 75' ' ' THR . 6.9 t80 -147.6 -44.5 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -90.52 -10.87 41.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.573 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -98.2 112.64 62.56 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.576 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.448 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 18.3 Cg_endo -74.98 -31.35 6.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.475 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.4 OUTLIER -148.84 165.73 30.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 109.352 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.529 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . . . -53.43 -51.89 61.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -38.62 -32.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.442 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -86.66 -46.83 9.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.743 ' CG1' HG21 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -55.81 -42.58 70.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.418 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -49.95 -49.58 49.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -60.71 -67.77 1.98 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.7 OUTLIER -36.21 -33.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 111.03 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.073 HD13 HD11 ' A' ' 72' ' ' LEU . 2.1 tp -85.13 -50.92 7.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.841 ' HA ' HD23 ' A' ' 94' ' ' LEU . 4.4 t0 -58.83 -23.03 59.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -84.69 -32.48 23.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.32 -20.69 27.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.841 HD23 ' HA ' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -90.85 -27.14 19.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.363 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 18' ' ' THR . 3.7 ttp180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 18' ' ' THR . . . -55.76 -76.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.99 -43.31 19.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.609 ' O ' HD23 ' A' ' 21' ' ' LEU . 9.7 tpp85 -62.61 -29.78 70.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 15' ' ' ALA . 19.3 m -81.65 -38.84 25.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.416 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.92 -39.7 61.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 24' ' ' LEU . 6.4 pt-20 -64.21 -44.82 90.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.718 HD12 HD12 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -56.1 -41.91 75.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.542 HG22 ' HB2' ' A' ' 87' ' ' ALA . 42.9 t -67.61 -74.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 ptt85 -40.72 -35.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.506 ' C ' HD23 ' A' ' 24' ' ' LEU . 7.0 tt -75.28 -52.38 11.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 21' ' ' LEU . 3.0 t -52.69 -39.79 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.469 ' CZ ' HG13 ' A' ' 41' ' ' VAL . 1.4 mtp-105 -59.16 -76.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' ARG . 40.5 p -35.69 -65.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' THR . 5.9 t -37.48 -65.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.983 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.1 m -41.79 -66.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.448 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.84 -29.3 18.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -71.5 -36.66 71.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.394 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.78 HG21 ' HB2' ' A' ' 60' ' ' LEU . 85.4 t -60.59 -32.11 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 50' ' ' LEU . 3.1 mm? -76.72 -4.11 41.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.16 18.71 49.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 36' ' ' ASP . 6.2 m-70 -91.94 -11.33 36.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.572 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 35' ' ' HIS . 3.6 m-20 38.22 53.13 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.01 111.49 2.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.973 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.2 Cg_endo -75.01 -17.19 19.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' PRO . 2.8 mttt -39.66 -29.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' PRO . . . -91.85 50.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.973 HG12 ' O ' ' A' ' 38' ' ' PRO . 3.3 p -172.22 147.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.696 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -154.06 22.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 83.78 -49.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.445 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 2.3 p -100.2 28.33 5.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.341 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.784 HG23 ' HD2' ' A' ' 46' ' ' PRO . 1.9 m -92.31 147.17 34.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.362 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.784 ' HD2' HG23 ' A' ' 45' ' ' THR . 18.4 Cg_endo -74.93 121.94 6.92 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.602 ' CD1' ' N ' ' A' ' 48' ' ' LYS . 21.5 p90 -72.94 -45.96 55.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.602 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -53.08 -22.57 6.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.23 -38.15 63.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 46' ' ' PRO . 3.5 mp -59.96 -31.55 69.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.49 55.44 0.36 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.58 ' HE2' HD22 ' A' ' 60' ' ' LEU . 1.4 m-30 -116.72 142.05 47.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 0.789 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.98 -75.3 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 58' ' ' VAL . 68.9 m -130.26 -64.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.042 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -55.66 23.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.522 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -70.83 -23.25 62.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.48 -29.88 59.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 54' ' ' SER . 17.2 t -90.08 -27.08 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.545 ' HB3' HG13 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -65.09 -28.73 69.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.258 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.78 ' HB2' HG21 ' A' ' 32' ' ' VAL . 1.5 tp -89.46 -35.88 15.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.505 ' C ' ' CD ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -68.84 -29.53 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.293 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.463 HD22 HG12 ' A' ' 58' ' ' VAL . 4.8 m-80 -80.7 -29.14 36.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 tt -84.04 -39.08 20.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 64' ' ' LEU . 10.0 mt -65.8 -13.2 59.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -58.76 -20.58 50.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.21 4.95 50.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -113.06 -13.02 13.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 1.037 HG21 HD21 ' A' ' 72' ' ' LEU . 6.8 p -123.8 -57.93 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 110.405 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 124.85 -14.68 7.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.88 -169.28 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 72' ' ' LEU . 1.6 ttt180 -90.16 4.35 50.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 1.037 HD21 HG21 ' A' ' 68' ' ' THR . 7.9 mt 54.5 163.84 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.563 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -75.0 144.61 30.43 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.781 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.4 p -75.55 -19.49 59.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.029 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 79' ' ' ASP . 10.9 p -89.8 -1.53 58.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.42 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.521 ' CD1' HD13 ' A' ' 72' ' ' LEU . 7.7 tt -47.54 -53.4 14.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.403 HG12 ' CE1' ' A' ' 47' ' ' PHE . 6.3 t -85.73 19.02 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -137.64 9.37 2.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.7 OUTLIER -137.42 -37.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.915 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -88.08 113.3 54.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.622 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -32.13 5.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 44' ' ' THR . 88.8 m-20 -141.0 145.22 35.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -39.29 -47.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.4 OUTLIER -37.82 -37.14 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.66 -50.35 12.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.915 HG23 ' CG ' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -48.01 -49.94 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.542 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -45.29 -57.16 4.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.51 -56.18 16.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.563 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 1.3 t80 -52.47 -33.55 45.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.718 HD12 HD12 ' A' ' 21' ' ' LEU . 4.0 mt -80.47 -39.9 27.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.2 -47.53 79.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.51 -31.03 69.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.406 ' CB ' ' O ' ' A' ' 89' ' ' PHE . 1.5 tt0 -77.32 -24.62 50.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.777 HD21 ' HA ' ' A' ' 68' ' ' THR . 10.0 mt -89.86 -23.87 21.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.58 -61.21 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.25 -56.19 3.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.423 HH21 ' HB2' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.26 -53.43 58.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -54.31 -42.78 70.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.1 -18.22 60.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.09 -43.29 18.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.09 -48.24 82.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.506 HG22 ' HB2' ' A' ' 87' ' ' ALA . 24.5 t -59.75 -62.29 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -39.73 -43.78 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.449 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -65.59 -62.46 1.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.828 HG22 HD21 ' A' ' 64' ' ' LEU . 47.9 t -42.15 -43.67 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -53.91 -63.95 0.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.443 ' O ' ' CB ' ' A' ' 31' ' ' THR . 2.1 p -62.47 -49.59 74.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -52.93 -45.46 67.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.597 HG22 HD13 ' A' ' 50' ' ' LEU . 18.0 m -61.37 -67.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.87 -36.98 40.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 27' ' ' THR . 1.7 m -53.3 -34.94 59.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 28' ' ' SER . 78.0 t -66.56 -12.49 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.799 HD11 ' HB2' ' A' ' 50' ' ' LEU . 13.3 mt -103.33 16.54 26.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.74 46.13 24.64 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -138.81 121.99 16.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 109.593 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.48 67.73 7.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -150.74 97.89 3.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -19.1 18.14 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.543 1.812 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.07 -2.81 46.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.33 -16.25 33.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.4 t -124.39 138.87 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -97.6 178.1 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.07 -28.15 21.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.452 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -101.91 8.74 41.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.817 HG23 ' H ' ' A' ' 47' ' ' PHE . 1.7 t -45.78 148.4 1.36 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.531 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.02 5.05 4.22 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.801 . . . . 0.0 111.039 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.817 ' H ' HG23 ' A' ' 45' ' ' THR . 0.3 OUTLIER 65.61 -56.26 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.592 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 1.8 mmtt -58.61 -15.45 11.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.493 ' CG ' ' HG2' ' A' ' 46' ' ' PRO . 2.9 mm-40 -73.96 -32.58 63.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.799 ' HB2' HD11 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -89.33 25.02 2.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 36.77 88.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.102 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.747 ' HE2' HD22 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -128.38 125.73 39.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 0.758 . . . . 0.0 110.992 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' LEU . 8.1 p30 -134.18 177.71 7.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.471 ' O ' HG23 ' A' ' 58' ' ' VAL . 58.3 m -38.54 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -73.28 -67.35 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.579 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -56.77 -40.31 75.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.927 ' HB2' HG11 ' A' ' 77' ' ' VAL . . . -61.34 -32.39 72.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 54' ' ' SER . 2.2 t -77.93 -40.17 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -69.95 -22.89 63.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.271 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.747 HD22 ' HE2' ' A' ' 52' ' ' PHE . 52.6 tp -71.25 -69.38 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -36.76 -54.9 0.9 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -45.21 -52.72 9.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.417 ' C ' ' N ' ' A' ' 65' ' ' ASN . 0.2 OUTLIER -69.37 -48.07 62.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.828 HD21 HG22 ' A' ' 25' ' ' VAL . 3.2 mt -47.63 -24.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 63' ' ' LEU . 2.6 t-20 -56.81 -25.52 55.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.25 -17.69 48.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.449 ' HB2' ' HG ' ' A' ' 24' ' ' LEU . . . -87.22 -26.18 23.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.487 HG21 HD21 ' A' ' 72' ' ' LEU . 39.0 p -120.67 -66.69 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.46 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 104.73 10.45 32.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.4 pp -124.39 -179.71 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 0.0 109.301 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -79.83 87.17 5.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.681 HD21 ' HG ' ' A' ' 90' ' ' LEU . 22.0 mt -65.88 161.58 52.98 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.894 ' O ' HD22 ' A' ' 76' ' ' LEU . 18.1 Cg_endo -75.09 145.89 31.68 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.6 p -81.81 -8.02 59.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 78' ' ' PHE . 46.8 p -89.58 -13.83 36.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.894 HD22 ' O ' ' A' ' 73' ' ' PRO . 1.9 pt? -40.82 -50.67 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.927 HG11 ' HB2' ' A' ' 57' ' ' ALA . 36.5 t -85.35 43.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -152.65 -42.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.63 -12.39 27.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.617 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -100.22 108.92 54.81 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.621 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.0 -36.63 2.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.502 1.791 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -131.68 156.24 46.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -47.66 -53.47 14.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.51 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.8 OUTLIER -38.23 -48.6 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.412 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -57.97 -50.71 72.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.624 ' CG1' HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -53.7 -40.28 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 84' ' ' SER . . . -53.49 -48.11 69.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.85 -46.95 90.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.64 -34.37 62.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.681 ' HG ' HD21 ' A' ' 72' ' ' LEU . 9.1 mp -80.71 -40.67 24.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 95' ' ' GLY . 1.4 t70 -65.24 -46.3 81.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.82 -30.69 65.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -85.05 -20.84 29.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.423 ' HB2' HH21 ' A' ' 17' ' ' ARG . 48.7 mt -90.06 -22.16 21.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 19' ' ' ALA . . . -67.9 -51.06 52.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.85 -61.37 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.418 ' NH2' ' HB3' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -48.63 -35.18 13.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.7 m -79.39 -35.6 40.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -73.02 -29.66 63.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.81 -48.03 34.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.901 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -59.13 -43.66 91.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.53 HG22 ' HB2' ' A' ' 87' ' ' ALA . 3.7 t -58.9 -66.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -39.41 -44.96 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.673 HD13 ' HB1' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -57.75 -53.45 58.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 21' ' ' LEU . 16.8 t -55.61 -57.27 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.228 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -42.51 -55.05 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 31' ' ' THR . 3.5 p -66.29 -53.65 34.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.772 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.6 t -46.82 -53.37 12.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.456 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 3.6 m -54.55 -71.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.404 ' HA ' HD23 ' A' ' 33' ' ' LEU . . . -45.98 -34.86 4.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 27' ' ' THR . 20.2 m -68.14 -38.41 82.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 28' ' ' SER . 55.2 t -59.65 -17.6 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 30' ' ' ALA . 2.9 mm? -90.1 -20.16 23.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.19 0.51 29.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -119.08 130.1 55.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 0.768 . . . . 0.0 109.625 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -103.72 71.19 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.23 106.48 3.36 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 41' ' ' VAL . 18.3 Cg_endo -74.98 -15.32 20.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -54.04 -20.29 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.27 23.72 7.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.656 HG12 ' H ' ' A' ' 43' ' ' ALA . 25.6 t -147.89 124.38 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.66 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.5 mtm180 -92.87 13.49 20.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 81.84 -51.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -96.45 43.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.43 160.42 30.6 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 123.76 8.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 5.5 p90 -74.1 -28.3 61.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -69.78 -16.59 63.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.53 -26.97 24.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.418 HD13 HG22 ' A' ' 29' ' ' THR . 37.9 mt -67.62 -31.09 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.74 41.59 1.56 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.44 1.088 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CE2' HD22 ' A' ' 60' ' ' LEU . 5.2 m-85 -95.57 141.53 28.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -149.38 -83.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.8 m -124.99 -63.93 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.0 -54.83 37.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.97 -30.51 68.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.883 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -68.0 -31.35 70.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.417 ' CG1' ' OD1' ' A' ' 62' ' ' ASN . 1.2 t -83.67 -54.14 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.63 -28.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.612 ' HB2' HG21 ' A' ' 32' ' ' VAL . 11.7 tp -86.49 -50.67 6.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.535 HH21 ' HA ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -59.38 -15.3 15.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.463 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 29.5 m120 -80.18 -38.72 30.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.441 HD22 ' OG ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -85.58 -51.96 6.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.708 ' CD1' HG11 ' A' ' 86' ' ' VAL . 12.3 mt -43.6 -57.81 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.679 ' N ' HD12 ' A' ' 72' ' ' LEU . 3.1 p30 -53.57 -39.44 64.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.466 ' N ' ' OD1' ' A' ' 65' ' ' ASN . . . -67.81 -9.6 45.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.673 ' HB1' HD13 ' A' ' 24' ' ' LEU . . . -107.45 24.02 13.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.936 ' O ' HD21 ' A' ' 94' ' ' LEU . 1.2 p -141.06 -44.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.392 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.71 -3.83 14.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 0.7 OUTLIER -119.62 -160.23 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.52 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -109.67 2.49 20.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.728 HD13 ' CD1' ' A' ' 76' ' ' LEU . 18.8 mt 53.24 163.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 156.18 42.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.477 1.778 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.535 ' HA ' HH21 ' A' ' 61' ' ' ARG . 10.1 t -79.3 -15.76 57.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.962 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 78' ' ' PHE . 77.1 p -90.33 -7.22 53.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.728 ' CD1' HD13 ' A' ' 72' ' ' LEU . 9.6 tt -39.69 -52.93 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.883 HG11 ' CB ' ' A' ' 57' ' ' ALA . 40.5 t -85.13 44.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.481 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -151.44 -41.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.47 8.07 45.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.603 ' CE1' ' HA ' ' A' ' 77' ' ' VAL . 3.7 p-80 -101.32 107.65 51.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.593 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.459 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.4 Cg_endo -75.02 -25.31 11.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -159.69 175.93 12.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 43' ' ' ALA . . . -66.16 -51.91 53.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.37 -27.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.459 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -78.0 -53.05 7.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.153 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.708 HG11 ' CD1' ' A' ' 64' ' ' LEU . 88.4 t -44.51 -50.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.53 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -43.94 -57.33 3.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.52 -55.86 20.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.21 -41.64 13.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.747 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.736 ' HG ' HG21 ' A' ' 68' ' ' THR . 10.8 mp -70.82 -44.69 66.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -61.38 -46.83 88.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.59 -36.86 74.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.47 -27.43 64.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.936 HD21 ' O ' ' A' ' 68' ' ' THR . 48.5 mt -87.71 -24.14 23.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.936 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' ARG . . . -40.4 -56.47 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -63.73 -40.86 97.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -57.94 -54.05 51.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.3 m -66.22 -46.98 75.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.14 -22.71 67.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 16' ' ' GLU . 12.1 tt0 -82.33 -43.28 17.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -30.84 68.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.52 HG22 ' HB2' ' A' ' 87' ' ' ALA . 2.9 t -64.09 -52.8 51.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -54.5 -39.25 67.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 tt -73.35 -45.48 54.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.785 HG22 HD21 ' A' ' 64' ' ' LEU . 2.2 t -49.31 -48.71 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.787 ' HG3' HG11 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -55.25 -62.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -52.65 -47.48 67.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 32' ' ' VAL . 22.7 p -54.31 -43.04 70.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.009 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.643 HG23 ' CE2' ' A' ' 52' ' ' PHE . 25.1 m -61.91 -65.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.417 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.96 -37.01 8.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.3 m -61.09 -37.33 82.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.696 HG21 ' HB2' ' A' ' 60' ' ' LEU . 53.3 t -65.12 -18.08 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.878 HD11 HD13 ' A' ' 50' ' ' LEU . 14.9 mt -104.65 29.58 6.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 39.84 46.39 3.05 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -159.64 133.8 7.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 0.796 . . . . 0.0 109.597 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.43 71.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -136.78 91.69 15.26 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' VAL . 18.5 Cg_endo -74.91 -17.2 19.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.041 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -20.64 6.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.48 27.51 4.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.787 HG11 ' HG3' ' A' ' 26' ' ' ARG . 49.1 t -137.69 144.44 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.694 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -125.47 9.1 7.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 83.66 -50.75 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.454 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 6.6 p -90.89 28.5 1.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 110.454 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -85.25 144.74 41.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.393 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.49 ' HG2' ' CB ' ' A' ' 49' ' ' GLU . 18.3 Cg_endo -75.02 137.92 22.31 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' A' ' 48' ' ' LYS . 27.8 p90 -69.78 -40.85 75.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.629 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -64.47 -10.94 28.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.49 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . 1.9 tp10 -87.93 -35.92 17.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.888 HD11 ' CD1' ' A' ' 52' ' ' PHE . 4.2 pp -85.07 -13.45 50.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.71 60.2 0.94 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.888 ' CD1' HD11 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -123.64 140.18 53.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -159.44 -81.2 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 58' ' ' VAL . 73.1 m -120.28 -68.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.003 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 mt -45.59 -53.71 8.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.821 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -63.32 -39.21 93.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.81 ' HB2' HG11 ' A' ' 77' ' ' VAL . . . -62.9 -37.41 86.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.1 t -67.85 -45.9 83.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.687 ' HB3' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -65.01 -29.22 70.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.696 ' HB2' HG21 ' A' ' 32' ' ' VAL . 7.0 tp -79.73 -40.7 28.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.39 -45.97 92.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -55.56 -38.59 69.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -78.55 -54.21 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.785 HD21 HG22 ' A' ' 25' ' ' VAL . 8.3 mt -49.55 -39.77 35.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -55.85 -27.26 50.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -85.69 9.75 15.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.11 27.08 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.597 ' HA ' HD21 ' A' ' 94' ' ' LEU . 7.0 p -148.73 -58.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.424 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 126.68 -14.97 6.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.452 HD11 ' OE1' ' A' ' 93' ' ' GLU . 0.6 OUTLIER -120.01 -170.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.515 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -92.45 2.87 56.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.647 HD12 ' HB3' ' A' ' 64' ' ' LEU . 13.3 mt 52.94 164.51 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.885 ' O ' HD12 ' A' ' 76' ' ' LEU . 18.4 Cg_endo -75.05 150.4 37.89 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.793 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.1 p -74.92 -23.71 58.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.3 p -92.0 3.22 55.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.428 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.935 HD13 ' H ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -57.69 -40.99 80.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.935 ' H ' HD13 ' A' ' 76' ' ' LEU . 1.6 t -84.86 4.35 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -109.8 -43.89 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.405 ' HB3' ' CE2' ' A' ' 89' ' ' PHE . 1.7 t70 -75.61 -28.76 59.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.823 ' CD2' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -92.01 112.3 54.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.617 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.455 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -74.96 -37.68 1.95 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.484 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 0.1 OUTLIER -131.54 165.66 23.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.487 ' HB1' ' CG1' ' A' ' 25' ' ' VAL . . . -53.5 -55.52 24.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -37.8 -33.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.943 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 82' ' ' ASN . . . -75.29 -54.56 6.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.823 HG23 ' CD2' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -46.57 -42.44 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.52 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -49.65 -49.62 46.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -62.73 -61.64 6.3 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' A' ' 79' ' ' ASP . 0.7 OUTLIER -44.3 -37.58 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 110.952 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.734 ' CD2' HD22 ' A' ' 64' ' ' LEU . 8.9 mp -77.59 -44.58 27.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -58.44 -45.31 88.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.73 -36.25 76.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.452 ' OE1' HD11 ' A' ' 70' ' ' LEU . 1.6 mt-10 -75.03 -22.73 58.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.245 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.597 HD21 ' HA ' ' A' ' 68' ' ' THR . 4.1 mt -88.86 -25.02 22.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.934 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.44 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.71 -37.81 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -53.35 52.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 22' ' ' VAL . 17.7 m -55.59 -46.52 77.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.5 -24.16 61.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -73.84 -40.89 62.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.533 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -75.74 -23.98 56.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.565 HG12 ' N ' ' A' ' 23' ' ' ARG . 2.3 t -60.91 -72.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.565 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -51.86 -29.53 19.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.609 HD11 ' CB ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -60.27 -52.82 63.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.821 HG11 HG11 ' A' ' 86' ' ' VAL . 79.0 t -56.62 -60.04 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -38.2 -50.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.568 HG23 ' HG3' ' A' ' 38' ' ' PRO . 2.9 m -66.17 -41.2 90.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.43 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 25' ' ' VAL . 1.2 m -65.45 -35.09 79.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.662 ' O ' HG12 ' A' ' 32' ' ' VAL . 1.7 m -64.26 -71.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.954 ' HB1' ' O ' ' A' ' 35' ' ' HIS . . . -44.45 -39.32 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.6 m -62.46 -39.02 92.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.351 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.856 HG13 HD13 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -59.82 -29.78 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.856 HD13 HG13 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -90.68 -20.34 22.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.558 ' O ' ' CG ' ' A' ' 35' ' ' HIS . . . 127.25 -49.65 0.92 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.954 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 91.5 m-70 -160.54 -119.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 0.0 109.564 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 3.0 t0 85.81 -8.75 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.8 t0 61.14 121.01 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.568 ' HG3' HG23 ' A' ' 27' ' ' THR . 18.4 Cg_endo -75.0 -18.61 18.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -82.58 0.13 44.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.86 20.98 15.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.567 HG13 HG21 ' A' ' 45' ' ' THR . 41.2 t -135.7 140.23 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -73.17 -179.86 3.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.37 -21.58 19.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 p -113.28 37.56 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.363 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.567 HG21 HG13 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -89.2 157.24 48.16 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.382 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 131.18 13.98 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.45 1.763 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.682 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -82.6 -47.51 12.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -18.08 14.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.43 -32.81 58.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 47' ' ' PHE . 3.1 mt -66.65 -28.89 68.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.22 63.75 0.39 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.617 ' CE1' HG11 ' A' ' 32' ' ' VAL . 3.1 m-85 -113.42 132.49 55.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.637 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -170.59 122.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 58' ' ' VAL . 7.8 m 37.38 -87.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.637 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -43.54 -70.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.484 ' HB3' ' H ' ' A' ' 53' ' ' ASP . . . -58.15 -28.83 65.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.485 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -68.57 -28.72 67.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.9 t -91.06 -48.79 13.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.96 -37.51 9.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.507 HD22 ' HG ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -73.56 -64.09 1.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.46 -25.4 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -73.28 -41.8 63.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 60' ' ' LEU . 30.1 tp -76.92 -33.49 57.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.639 ' HB3' HD21 ' A' ' 90' ' ' LEU . 4.8 mt -69.15 -10.37 57.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.36 -9.64 59.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.33 -23.52 22.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.609 ' CB ' HD11 ' A' ' 24' ' ' LEU . . . -94.69 1.12 55.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.791 HG21 HD11 ' A' ' 72' ' ' LEU . 3.6 p -127.87 -60.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.35 22.77 56.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.43 -177.77 4.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 3.6 ptp180 -86.8 106.82 17.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.791 HD11 HG21 ' A' ' 68' ' ' THR . 28.1 mt -96.16 157.82 35.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 1.038 ' O ' HD12 ' A' ' 76' ' ' LEU . 18.3 Cg_endo -75.03 150.24 37.71 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.759 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.2 p -85.44 -17.32 36.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -84.67 -11.93 54.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.415 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.038 HD12 ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -51.16 -39.83 57.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.942 ' H ' HD13 ' A' ' 76' ' ' LEU . 2.7 t -62.48 -19.77 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.4 OUTLIER -113.25 -4.19 13.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.041 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 75' ' ' THR . 13.7 t0 -103.83 -17.95 14.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.653 ' NE2' ' CD2' ' A' ' 47' ' ' PHE . 4.1 p-80 -106.38 108.46 61.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.573 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.4 Cg_endo -75.03 -17.77 19.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.418 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -156.1 157.9 36.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.402 ' C ' ' N ' ' A' ' 85' ' ' ALA . . . -50.33 -47.91 55.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.61 -25.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.423 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -87.49 -53.94 4.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.865 HG23 HD23 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -54.99 -41.88 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.47 -37.74 62.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -71.01 -61.62 3.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.02 -33.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.791 ' HG ' HG21 ' A' ' 68' ' ' THR . 8.8 mp -78.28 -43.1 28.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 88' ' ' GLY . 2.6 t70 -62.92 -46.62 86.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.76 71.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -75.74 -24.87 56.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.664 HD21 ' HA ' ' A' ' 68' ' ' THR . 8.0 mt -85.01 -26.64 26.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 111.017 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' A' ' 18' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 19' ' ' ALA . . . -60.78 -53.9 51.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -64.78 -57.76 8.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -48.27 -35.42 12.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.405 ' CB ' ' O ' ' A' ' 14' ' ' ARG . 52.4 m -83.67 -37.28 23.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -66.45 -27.99 68.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.29 -39.28 33.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.445 HD23 HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -69.25 -31.04 69.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.493 HG22 ' HB2' ' A' ' 87' ' ' ALA . 2.7 t -65.35 -65.53 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -53.68 -19.93 4.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.684 ' C ' HD23 ' A' ' 24' ' ' LEU . 3.1 tt -82.09 -43.98 17.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.706 HG11 ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -70.28 -20.43 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.35 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.485 ' HG2' HG12 ' A' ' 41' ' ' VAL . 46.7 mtp180 -76.89 -47.65 20.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -77.85 -42.2 34.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.365 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.7 m -60.96 -34.02 74.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.642 ' CG2' ' CE2' ' A' ' 52' ' ' PHE . 3.3 m -71.26 -62.77 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.67 -30.3 3.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 43.0 m -64.28 -34.48 78.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.428 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.543 HG21 ' HB2' ' A' ' 60' ' ' LEU . 86.1 t -59.75 -37.31 70.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.778 HD21 ' O ' ' A' ' 50' ' ' LEU . 4.0 mt -67.68 -23.52 65.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.9 53.6 1.62 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.01 176.97 11.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 109.604 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -142.0 56.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.16 82.99 67.15 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' VAL . 18.4 Cg_endo -74.92 -19.64 17.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -51.74 -28.93 16.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.62 29.14 5.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.485 HG12 ' HG2' ' A' ' 26' ' ' ARG . 78.4 t -127.92 139.95 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 mtp85 -125.91 -174.96 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.54 -17.93 21.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.486 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 60.2 p -118.27 37.5 4.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.748 HG23 ' HD2' ' A' ' 46' ' ' PRO . 2.7 m -91.72 146.75 33.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.748 ' HD2' HG23 ' A' ' 45' ' ' THR . 18.2 Cg_endo -75.01 104.34 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.766 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 1.6 t80 -56.5 -46.85 80.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.38 -36.88 69.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 51' ' ' GLY . 3.4 mm-40 -65.45 -43.81 89.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.778 ' O ' HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -44.88 -26.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 49' ' ' GLU . . . 102.24 35.99 3.74 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.642 ' CE2' ' CG2' ' A' ' 29' ' ' THR . 29.3 m-85 -100.98 106.97 18.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.74 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' SER . 6.0 m-20 -95.28 178.77 5.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 53' ' ' ASP . 4.0 m -37.1 -37.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.48 -64.44 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.619 ' HB3' ' HA ' ' A' ' 52' ' ' PHE . . . -54.59 -42.23 70.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.413 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -58.74 -32.2 69.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 59' ' ' ARG . 0.9 OUTLIER -83.48 -57.46 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.475 ' N ' HG12 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -40.69 -35.22 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.766 HD22 ' CZ ' ' A' ' 47' ' ' PHE . 2.0 tp -77.48 -45.46 25.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -60.93 -25.7 66.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.271 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.451 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 13.1 m120 -78.11 -31.39 49.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.43 -46.69 10.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.603 HD11 ' CG2' ' A' ' 25' ' ' VAL . 8.1 mt -56.17 -18.74 10.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -59.0 -19.79 46.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.03 -18.39 21.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.75 -35.49 67.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.985 HG23 HD23 ' A' ' 90' ' ' LEU . 1.6 p -106.26 -31.78 8.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.59 11.62 68.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.511 HD21 ' HB3' ' A' ' 93' ' ' GLU . 1.6 pp -129.8 177.08 7.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 0.752 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -85.28 99.5 11.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.418 HD11 ' HG ' ' A' ' 90' ' ' LEU . 43.8 mt -78.53 159.93 73.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.898 ' O ' HD12 ' A' ' 76' ' ' LEU . 18.2 Cg_endo -74.98 147.01 33.41 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.53 1.805 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.8 p -75.44 -21.88 57.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 78' ' ' PHE . 70.8 p -90.65 -1.16 57.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.433 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.937 HD13 ' H ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -52.26 -40.47 61.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.937 ' H ' HD13 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -69.06 -19.95 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 75' ' ' THR . 1.2 m-85 -91.88 -51.38 5.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -59.34 -29.63 67.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.714 ' ND1' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -94.9 113.46 61.33 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.622 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -33.14 4.85 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.545 1.813 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.486 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -140.06 162.57 34.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 85' ' ' ALA . . . -52.17 -51.75 56.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -37.54 -31.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.953 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -83.79 -52.1 6.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.714 HG23 ' ND1' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -47.18 -41.83 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.493 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -53.43 -43.16 67.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.13 -59.35 7.52 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -44.3 -33.98 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 0.796 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.985 HD23 HG23 ' A' ' 68' ' ' THR . 3.3 mp -81.96 -47.78 12.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -55.32 -48.65 73.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.04 -38.44 70.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.511 ' HB3' HD21 ' A' ' 70' ' ' LEU . 25.4 mm-40 -70.87 -26.57 63.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.79 ' CD1' HG22 ' A' ' 68' ' ' THR . 2.7 mt -86.44 -24.91 25.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.11 . . . . 0.0 111.013 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.73 -72.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 5.1 mm-40 -41.17 -45.35 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -61.53 -56.15 23.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.348 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 m -58.55 -47.69 83.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.367 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.54 -21.82 65.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 0.7 OUTLIER -78.5 -43.24 27.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.999 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -58.26 -46.46 85.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.343 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.543 HG22 ' HB2' ' A' ' 87' ' ' ALA . 54.9 t -58.87 -64.06 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -42.22 -29.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -87.01 -42.78 12.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.999 HG23 ' O ' ' A' ' 21' ' ' LEU . 96.7 t -53.96 -41.57 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.466 ' CG ' HG12 ' A' ' 41' ' ' VAL . 2.1 ttp180 -62.69 -72.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.4 m -49.18 -46.24 45.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 82.6 p -48.47 -42.66 33.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.984 ' O ' HG12 ' A' ' 32' ' ' VAL . 16.8 m -72.2 -64.76 0.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.723 ' HB1' ' CD2' ' A' ' 35' ' ' HIS . . . -47.47 -32.42 5.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.5 m -60.97 -34.63 75.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.4 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.984 HG12 ' O ' ' A' ' 29' ' ' THR . 3.4 p -70.6 -24.42 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.714 HD23 ' HA ' ' A' ' 30' ' ' ALA . 2.2 mm? -76.41 -34.83 58.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.71 -5.31 32.74 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.723 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -95.05 -17.1 22.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.618 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.521 ' C ' ' O ' ' A' ' 35' ' ' HIS . 10.0 t70 30.68 45.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.232 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 35' ' ' HIS . 76.1 m-20 -113.97 96.94 43.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.17 18.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.792 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -19.42 63.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.87 -4.72 27.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.568 HG21 ' HB2' ' A' ' 30' ' ' ALA . 94.3 t -117.24 142.96 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -117.96 175.51 5.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.471 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . . . -81.74 -22.99 36.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.474 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 8.1 p -115.26 35.32 4.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.8 150.84 37.19 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 110.396 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 101.86 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.616 ' HA ' HD12 ' A' ' 50' ' ' LEU . 6.0 p90 -56.67 -25.81 54.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -15.87 62.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -94.24 -23.23 17.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 47' ' ' PHE . 60.0 mt -67.36 -27.65 67.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.39 57.26 0.27 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.747 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 3.2 m-85 -123.77 147.57 47.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -148.57 -71.68 0.2 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.2 m -138.42 -66.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.2 -45.91 72.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.482 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -65.2 -39.57 93.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.83 -26.39 66.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -87.33 -54.95 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.51 -34.76 5.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.483 HD23 HG21 ' A' ' 77' ' ' VAL . 17.6 tp -68.5 -52.69 29.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -39.84 25.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -73.46 -25.85 60.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.6 tt -83.53 -30.51 27.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.472 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 6.4 mt -76.15 -19.81 58.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.07 -15.79 26.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.64 -17.52 20.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.71 -30.2 36.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.588 HG21 HD21 ' A' ' 72' ' ' LEU . 2.8 p -111.06 -51.53 2.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.1 16.45 50.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 93' ' ' GLU . 1.4 pp -131.46 -174.99 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 1.1 ptp180 -79.47 98.89 6.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.588 HD21 HG21 ' A' ' 68' ' ' THR . 34.8 mt -82.79 159.73 62.72 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.566 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.4 Cg_endo -75.01 144.69 30.52 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.0 t -78.58 -17.63 55.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.965 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 78' ' ' PHE . 7.8 p -89.66 -1.71 58.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.411 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.451 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 2.6 tt -39.22 -56.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.58 HG11 ' CD2' ' A' ' 52' ' ' PHE . 50.4 t -85.42 44.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.5 OUTLIER -156.09 -41.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.76 -11.0 37.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.554 ' C ' ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -90.7 139.66 26.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.603 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.814 ' HD2' ' HB3' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -74.98 -58.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.549 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 54.4 m-80 -128.45 -97.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' A' ' 43' ' ' ALA . . . -143.25 -31.27 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.34 -33.64 54.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.814 ' HB3' ' HD2' ' A' ' 81' ' ' PRO . . . -81.24 -41.77 21.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.637 HG12 HD11 ' A' ' 90' ' ' LEU . 95.0 t -48.61 -43.92 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.543 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -54.93 -51.85 64.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.37 -59.87 7.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -49.06 -38.63 24.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 111.06 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.637 HD11 HG12 ' A' ' 86' ' ' VAL . 8.8 mt -73.88 -37.53 64.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.77 -45.91 70.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.2 79.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.498 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 3.8 mm-40 -69.56 -28.09 65.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.519 HD21 ' O ' ' A' ' 68' ' ' THR . 13.2 mt -88.96 -22.75 22.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.508 1.13 . . . . 0.0 111.056 -179.979 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.792 HH21 ' C ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.25 -69.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -49.47 -55.31 13.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -37.69 62.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.468 ' CB ' ' O ' ' A' ' 14' ' ' ARG . 16.1 m -72.93 -37.47 67.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.428 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.71 -18.48 54.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -79.62 -49.63 11.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.602 HD13 HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -45.93 -52.69 11.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.953 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.029 HG13 HH21 ' A' ' 26' ' ' ARG . 12.9 t -57.41 -71.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.4 mtt85 -42.24 -27.69 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.934 HD21 ' HB1' ' A' ' 67' ' ' ALA . 1.1 tp -76.47 -58.44 3.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.75 HG11 HG11 ' A' ' 86' ' ' VAL . 57.3 t -42.53 -49.93 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 1.029 HH21 HG13 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -46.89 -62.74 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' ' 31' ' ' THR . 13.3 m -48.79 -35.32 14.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.415 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 t -68.32 -45.2 73.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.989 ' O ' HG12 ' A' ' 32' ' ' VAL . 18.9 m -55.53 -73.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.87 -31.09 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 27' ' ' THR . 3.2 m -73.17 -38.84 66.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.989 HG12 ' O ' ' A' ' 29' ' ' THR . 2.7 p -59.4 -22.19 22.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 50' ' ' LEU . 1.8 mt -90.46 -20.43 22.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.76 43.06 3.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -148.58 169.73 19.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 0.755 . . . . 0.0 109.623 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -127.8 75.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -141.2 80.1 17.14 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -18.26 18.77 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.85 10.21 27.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.22 -14.13 15.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.498 HG13 ' CG ' ' A' ' 26' ' ' ARG . 10.8 p -117.81 161.02 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.442 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 1.7 mtm180 -118.61 168.15 10.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.51 -16.39 56.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 p -116.26 29.88 7.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -110.84 141.48 24.23 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.433 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 45' ' ' THR . 18.4 Cg_endo -74.96 108.77 2.79 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.696 ' CD1' HG21 ' A' ' 29' ' ' THR . 8.7 m-30 -49.0 -20.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -71.6 -31.19 66.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -54.45 -19.09 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.554 ' CD1' ' HA ' ' A' ' 47' ' ' PHE . 1.4 mp -97.51 -17.48 19.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 52' ' ' PHE . . . 127.88 -44.22 1.25 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.787 ' CE2' HD22 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -35.76 135.15 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.997 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.616 ' O ' ' HB2' ' A' ' 57' ' ' ALA . 32.5 t0 -170.13 -56.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 57' ' ' ALA . 93.7 p -116.19 -84.4 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.983 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 55' ' ' LEU . 11.9 mt -41.71 -45.7 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.709 ' HB3' ' HA ' ' A' ' 52' ' ' PHE . . . -72.81 -36.55 67.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.957 ' HB1' HG21 ' A' ' 77' ' ' VAL . . . -62.5 -38.1 88.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.8 t -76.63 -32.81 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -83.02 -16.05 48.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 110.321 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.787 HD22 ' CE2' ' A' ' 52' ' ' PHE . 9.3 tp -78.58 -50.71 11.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.679 ' HD3' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -54.82 -59.04 5.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -44.97 -27.74 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.408 ' N ' ' C ' ' A' ' 61' ' ' ARG . 0.8 OUTLIER -90.42 -38.73 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.267 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 11.2 mt -74.45 -5.05 40.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -66.74 -38.6 86.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.57 -5.26 59.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.934 ' HB1' HD21 ' A' ' 24' ' ' LEU . . . -80.64 -30.93 36.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.583 HG21 HD22 ' A' ' 90' ' ' LEU . 1.2 p -115.66 -39.04 3.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.67 -4.36 24.55 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.867 HD11 ' HG2' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -119.35 -169.57 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.764 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.499 ' O ' ' O ' ' A' ' 72' ' ' LEU . 14.4 mtm180 -94.27 2.24 55.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.766 HD21 ' CD2' ' A' ' 90' ' ' LEU . 19.1 mt 52.87 165.01 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 72' ' ' LEU . 18.4 Cg_endo -75.02 133.28 16.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.454 ' HA ' HH21 ' A' ' 61' ' ' ARG . 57.0 p -56.13 -24.17 39.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.005 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 79' ' ' ASP . 60.7 p -90.52 1.81 56.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.422 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.071 HD23 HG13 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -40.01 -76.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.071 HG13 HD23 ' A' ' 76' ' ' LEU . 32.2 m -59.11 -16.72 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.436 ' CB ' ' HA ' ' A' ' 75' ' ' THR . 4.5 t80 -84.34 -10.39 57.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 75' ' ' THR . 10.5 t0 -127.07 -1.88 6.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.644 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -110.84 103.34 54.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.615 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -74.99 -51.0 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -122.07 167.51 13.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.594 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . . . -56.87 -55.55 33.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' ALA . 1.3 t -38.26 -41.48 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.473 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -68.53 -63.08 1.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.75 HG11 HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -41.53 -49.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.601 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -44.76 -55.35 5.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.09 -60.0 8.69 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.7 -34.26 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.766 ' CD2' HD21 ' A' ' 72' ' ' LEU . 75.7 mt -76.9 -38.66 53.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -68.39 -45.74 71.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.33 -36.63 80.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.867 ' HG2' HD11 ' A' ' 70' ' ' LEU . 1.2 tp10 -69.95 -27.91 65.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.8 mt -90.08 -21.81 22.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.792 ' C ' HH21 ' A' ' 14' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.445 1.091 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.57 -65.98 0.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLU . 5.9 mm-40 -38.71 -54.86 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -55.24 -54.77 39.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.402 ' OG1' ' OD1' ' A' ' 91' ' ' ASP . 36.8 m -56.59 -43.18 79.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.41 -13.65 60.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' GLU . 9.2 tt0 -87.33 -41.37 13.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.53 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -68.58 -38.67 80.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.0 t -54.46 -62.22 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.65 -41.7 22.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.521 HD21 ' HA ' ' A' ' 67' ' ' ALA . 6.1 tp -67.49 -52.56 37.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.555 HG21 HG12 ' A' ' 86' ' ' VAL . 31.3 t -46.81 -38.08 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -71.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 31' ' ' THR . 1.4 p -43.77 -43.29 6.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.34 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.443 ' HA ' HD21 ' A' ' 63' ' ' LEU . 3.5 m -59.45 -48.18 82.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.831 HG23 ' CE2' ' A' ' 52' ' ' PHE . 100.0 m -55.03 -59.36 4.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.686 ' HA ' HD12 ' A' ' 33' ' ' LEU . . . -60.91 -36.1 78.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 27' ' ' THR . 1.3 m -55.55 -38.57 69.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.587 HG22 ' HB3' ' A' ' 59' ' ' ARG . 6.6 t -60.83 -27.38 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.697 HD11 ' HB2' ' A' ' 50' ' ' LEU . 5.6 mt -86.09 -12.07 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.229 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.86 24.28 76.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.6 OUTLIER -85.41 -13.64 48.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.619 179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' HIS . 6.5 m-20 37.41 65.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -178.3 120.22 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.498 ' HA ' HG12 ' A' ' 41' ' ' VAL . 18.5 Cg_endo -74.98 -19.2 18.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.444 1.76 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -63.45 -16.52 60.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.85 27.46 5.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' A' ' 38' ' ' PRO . 7.1 p -168.03 158.24 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -138.44 175.26 9.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.17 -29.54 34.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.7 p -113.49 39.5 2.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.621 HG23 ' HD2' ' A' ' 46' ' ' PRO . 1.5 m -108.07 143.66 27.82 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.621 ' HD2' HG23 ' A' ' 45' ' ' THR . 18.3 Cg_endo -74.99 140.7 25.79 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.555 ' HA ' HD21 ' A' ' 50' ' ' LEU . 7.9 p90 -67.01 -33.1 74.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.536 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -70.12 -7.92 45.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' CG ' ' HG2' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -88.71 -33.74 17.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.697 ' HB2' HD11 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -90.92 -10.55 42.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.54 64.96 1.15 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.831 ' CE2' HG23 ' A' ' 29' ' ' THR . 1.4 m-30 -121.19 138.34 54.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.593 ' O ' ' HB2' ' A' ' 57' ' ' ALA . 5.3 m-20 -156.14 -86.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 57' ' ' ALA . 8.9 p -111.93 -79.73 0.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.961 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.43 -46.03 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.735 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -70.49 -40.26 73.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.895 ' HA ' HG21 ' A' ' 77' ' ' VAL . . . -62.42 -40.37 96.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.178 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.53 HG12 HD21 ' A' ' 62' ' ' ASN . 2.2 t -67.64 -54.7 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.619 ' HA ' ' OD1' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -56.7 -20.53 22.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.752 HD22 ' CE2' ' A' ' 52' ' ' PHE . 45.2 tp -81.42 -41.93 21.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -68.69 -61.35 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.318 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.619 ' OD1' ' HA ' ' A' ' 59' ' ' ARG . 2.7 p30 -51.35 -24.92 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' ' 28' ' ' SER . 52.7 tp -85.82 -43.32 13.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.1 mt -72.38 -6.13 41.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.3 -22.17 66.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.29 -15.74 22.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.521 ' HA ' HD21 ' A' ' 24' ' ' LEU . . . -74.25 -24.65 59.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.97 HG21 HD22 ' A' ' 90' ' ' LEU . 36.8 p -129.89 -44.35 1.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.373 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.74 -11.74 15.53 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.43 HD23 ' HB ' ' A' ' 68' ' ' THR . 0.6 OUTLIER -95.89 -174.66 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' A' ' 72' ' ' LEU . 3.7 ptp180 -92.96 6.2 48.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.868 HD23 HD13 ' A' ' 76' ' ' LEU . 1.8 mp 55.11 164.65 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.567 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -75.0 143.64 29.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.0 p -66.44 -24.96 66.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.974 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 78' ' ' PHE . 44.9 p -91.04 4.48 52.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.868 HD13 HD23 ' A' ' 72' ' ' LEU . 4.3 tp -41.38 -61.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.895 HG21 ' HA ' ' A' ' 57' ' ' ALA . 86.9 t -87.36 25.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.1 OUTLIER -139.97 9.5 2.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.4 OUTLIER -140.45 -37.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.72 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -87.57 121.59 70.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.585 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.455 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -127.1 -173.95 3.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -77.89 -43.45 30.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.89 -26.95 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 83' ' ' ALA . . . -83.97 -44.57 14.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.72 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 2.7 t -48.16 -50.07 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.94 -49.67 15.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.9 -57.24 20.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.1 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.567 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -51.57 -27.98 12.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.754 . . . . 0.0 110.962 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.97 HD22 HG21 ' A' ' 68' ' ' THR . 72.6 mt -85.04 -41.93 15.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.402 ' OD1' ' OG1' ' A' ' 18' ' ' THR . 5.2 t70 -56.45 -47.65 78.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.09 -35.04 74.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -73.52 -25.4 60.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.7 mt -89.75 -23.24 21.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.985 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.9 -82.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -43.28 -32.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -62.83 -52.75 61.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.527 HG23 ' OD1' ' A' ' 91' ' ' ASP . 23.0 m -61.64 -48.09 82.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.422 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.36 -27.6 67.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 3.8 tt0 -69.04 -45.39 70.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.565 HD21 ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -60.16 -36.43 77.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.857 HG22 ' HB2' ' A' ' 87' ' ' ALA . 40.4 t -62.57 -63.86 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.3 ttt-85 -55.79 -23.75 31.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.348 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.87 HD22 ' HB2' ' A' ' 67' ' ' ALA . 6.2 tt -80.75 -65.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.623 HG11 ' CG1' ' A' ' 86' ' ' VAL . 0.3 OUTLIER -42.8 -33.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.789 ' HG2' HG11 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -68.42 -64.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.3 m -51.6 -38.54 55.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.468 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.684 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.0 t -62.13 -54.17 45.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.054 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.542 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 24.4 m -59.59 -46.84 87.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.419 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.72 -29.68 70.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 m -72.58 -34.72 67.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 28' ' ' SER . 67.6 t -62.95 -14.24 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 33' ' ' LEU . 2.3 mm? -101.0 17.83 21.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.72 51.01 40.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -156.21 120.63 4.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.613 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.56 63.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.31 85.75 31.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.6 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.4 Cg_endo -75.0 -20.75 16.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -16.76 25.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.62 -17.77 20.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.789 HG11 ' HG2' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -78.97 -167.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.773 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 30.9 ttm-85 -153.13 -81.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 42' ' ' ARG . . . 153.72 -22.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 p -118.15 16.2 14.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.89 145.58 44.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 81' ' ' PRO . 18.1 Cg_endo -75.0 117.52 4.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.538 1.809 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -59.69 -23.14 62.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -57.06 -36.08 70.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.41 -16.82 59.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.42 -17.72 53.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.38 85.47 0.85 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.537 1.148 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.542 ' CZ ' HG23 ' A' ' 29' ' ' THR . 0.4 OUTLIER -131.53 138.75 49.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.986 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.627 ' H ' ' HB3' ' A' ' 56' ' ' ALA . 30.9 m-20 -135.49 -175.63 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.418 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 3.5 m -56.85 -17.6 9.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.029 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.02 -53.16 4.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.627 ' HB3' ' H ' ' A' ' 53' ' ' ASP . . . -66.1 -40.75 91.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.524 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -64.47 -36.73 85.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 54' ' ' SER . 2.4 t -72.5 -54.06 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -23.02 15.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.565 HD21 HD21 ' A' ' 64' ' ' LEU . 1.5 tm? -80.25 -51.6 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -28.27 49.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -74.27 -23.21 59.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.541 HD22 ' OG ' ' A' ' 28' ' ' SER . 1.2 tt -89.43 -45.44 9.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.565 HD21 HD21 ' A' ' 60' ' ' LEU . 4.0 mt -51.06 -23.21 2.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -19.58 17.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.16 -21.73 24.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.87 ' HB2' HD22 ' A' ' 24' ' ' LEU . . . -87.25 -13.17 44.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.675 HG21 ' CD2' ' A' ' 90' ' ' LEU . 23.4 p -139.19 -71.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.91 16.53 25.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.409 ' C ' HD12 ' A' ' 70' ' ' LEU . 4.3 pp -114.74 -170.2 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -82.06 102.18 10.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.493 ' CD2' HD21 ' A' ' 90' ' ' LEU . 59.7 mt -79.75 146.96 65.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.521 ' CG ' ' CE1' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -74.95 153.47 42.07 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.6 p -77.75 -20.93 52.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 78' ' ' PHE . 47.0 p -91.36 -3.48 56.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.63 ' C ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -45.05 -48.86 11.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.791 HG12 ' O ' ' A' ' 77' ' ' VAL . 53.9 t -88.97 36.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 75' ' ' THR . 3.5 t80 -148.19 -42.46 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 111.031 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.27 -11.04 53.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.751 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -103.14 106.42 50.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.613 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.478 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.1 Cg_endo -75.03 -24.79 12.43 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.99 162.13 38.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.524 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . . . -51.74 -54.36 29.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.67 -33.87 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 110.038 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.478 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -87.35 -46.78 9.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.751 HG23 ' CG ' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -53.34 -41.26 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.857 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -52.37 -44.22 65.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 89' ' ' PHE . . . -65.2 -59.6 7.72 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.116 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.633 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -37.42 -45.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 0.788 . . . . 0.0 111.042 179.973 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.675 ' CD2' HG21 ' A' ' 68' ' ' THR . 1.2 mt -74.1 -59.49 2.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.527 ' OD1' HG23 ' A' ' 18' ' ' THR . 1.5 t70 -43.24 -52.29 5.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.73 -39.69 58.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.7 tt0 -77.42 -22.18 51.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.4 mt -84.33 -28.17 27.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.88 -61.01 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 20' ' ' GLU . 13.5 mm-40 -55.37 -39.95 70.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.665 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -63.18 -47.25 83.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 m -64.29 -45.35 88.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.385 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.9 -22.08 61.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' GLU . 4.2 tt0 -74.85 -41.42 59.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.635 ' CD2' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -67.79 -32.95 73.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.72 HG22 ' HB2' ' A' ' 87' ' ' ALA . 5.1 t -64.94 -51.21 69.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -38.81 71.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.771 HD12 ' HB2' ' A' ' 67' ' ' ALA . 2.6 tm? -74.84 -37.01 62.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.512 HG11 ' CG1' ' A' ' 86' ' ' VAL . 2.2 t -56.11 -53.82 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -63.95 -71.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' ARG . 3.8 m -38.27 -31.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.996 ' O ' HG12 ' A' ' 32' ' ' VAL . 36.9 t -80.62 -51.16 9.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.575 ' CG2' HD21 ' A' ' 50' ' ' LEU . 98.9 m -48.31 -34.67 10.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.628 ' HB1' ' O ' ' A' ' 35' ' ' HIS . . . -82.6 -31.39 28.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' GLY . 41.5 m -72.78 -52.45 14.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.996 HG12 ' O ' ' A' ' 28' ' ' SER . 0.5 OUTLIER -45.11 -50.43 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.053 HD11 ' O ' ' A' ' 51' ' ' GLY . 13.3 mt -67.14 -29.22 68.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.554 ' O ' ' CG ' ' A' ' 35' ' ' HIS . . . 146.41 -62.33 0.46 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.628 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 36.1 m-70 -159.66 -127.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.75 . . . . 0.0 109.594 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.601 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 2.5 t70 88.23 -16.8 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 36' ' ' ASP . 0.3 OUTLIER 58.95 155.72 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.44 ' HA ' HG12 ' A' ' 41' ' ' VAL . 18.2 Cg_endo -75.05 -21.12 16.1 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.466 1.772 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -28.98 70.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 36' ' ' ASP . . . -93.61 40.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.455 ' CG2' HG21 ' A' ' 45' ' ' THR . 1.1 p -175.88 147.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.04 176.81 5.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.01 -22.68 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -112.57 36.18 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.455 HG21 ' CG2' ' A' ' 41' ' ' VAL . 0.4 OUTLIER -105.87 156.15 37.11 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.385 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.35 12.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.547 1.814 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.884 ' HA ' HD23 ' A' ' 50' ' ' LEU . 26.2 p90 -76.8 -30.82 56.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -67.22 -10.98 56.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.72 -29.56 12.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.884 HD23 ' HA ' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -86.09 -13.78 46.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 1.053 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 117.97 121.69 3.14 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.696 ' CE1' ' HB1' ' A' ' 56' ' ' ALA . 0.1 OUTLIER 169.25 146.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 111.018 179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.25 -76.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' VAL . 38.4 m -130.76 -65.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.43 -55.45 8.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.696 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -66.66 -32.31 73.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.572 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -66.29 -31.32 72.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.3 t -84.71 -59.54 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.53 ' HB3' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -40.59 -34.8 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.724 HD13 HG11 ' A' ' 32' ' ' VAL . 12.4 tp -67.89 -68.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.05 -29.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 60' ' ' LEU . 4.9 m-80 -74.52 -53.27 9.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 60' ' ' LEU . 2.1 tt -66.4 -44.65 82.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' ALA . 5.9 mt -44.35 -30.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -50.5 -35.73 30.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.84 -29.83 70.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.771 ' HB2' HD12 ' A' ' 24' ' ' LEU . . . -83.25 -22.84 32.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.713 ' OG1' HD11 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -121.47 -88.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 -179.944 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.21 12.83 7.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.638 HD13 ' HB ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -121.98 -173.61 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 109.314 179.938 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -81.35 81.54 7.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.713 HD11 ' OG1' ' A' ' 68' ' ' THR . 19.6 mt -62.94 160.15 40.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.716 ' O ' HD12 ' A' ' 76' ' ' LEU . 18.2 Cg_endo -75.02 148.63 35.48 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.0 m -81.1 -21.61 39.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 79' ' ' ASP . 33.8 p -92.27 2.69 56.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.93 HD13 ' H ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -53.68 -40.81 66.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.93 ' H ' HD13 ' A' ' 76' ' ' LEU . 2.1 t -79.82 1.68 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -119.05 -12.58 9.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.4 OUTLIER -108.45 -8.37 15.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.691 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -112.27 103.19 55.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.592 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.458 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.03 -22.26 14.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -152.63 168.68 24.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 86' ' ' VAL . . . -59.88 -54.62 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.19 -27.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.458 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -88.16 -47.65 8.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.691 HG23 ' CG ' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -55.02 -46.21 77.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.72 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -46.82 -51.08 17.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -57.61 -57.42 19.88 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.123 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.627 ' CZ ' HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -45.7 -48.67 15.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 0.745 . . . . 0.0 111.008 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.695 HD23 ' CG2' ' A' ' 68' ' ' THR . 0.4 OUTLIER -60.79 -48.04 83.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -50.07 -23.65 2.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 89' ' ' PHE . . . -81.85 -34.2 30.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 90' ' ' LEU . 6.3 mm-40 -73.48 -29.62 62.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.665 HD22 ' CZ ' ' A' ' 17' ' ' ARG . 1.2 mt -91.38 -20.16 22.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.445 1.091 . . . . 0.0 111.0 -179.997 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.15 -70.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLU . 3.1 mp0 -41.61 -49.0 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -57.13 -54.56 45.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 m -60.4 -42.65 96.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.07 -22.96 63.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.8 tt0 -76.31 -49.63 16.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.98 ' O ' HG13 ' A' ' 25' ' ' VAL . 2.5 mm? -46.39 -57.04 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.838 HG22 ' HB2' ' A' ' 87' ' ' ALA . 99.4 t -53.23 -62.76 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -41.11 -25.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.696 HD22 ' HB2' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -90.83 -47.92 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.98 HG13 ' O ' ' A' ' 21' ' ' LEU . 1.5 m -57.27 -37.23 55.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.747 ' CZ ' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -77.19 -71.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.406 ' O ' ' CB ' ' A' ' 31' ' ' THR . 39.0 m -39.21 -50.12 1.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.924 ' O ' HG23 ' A' ' 32' ' ' VAL . 68.9 m -61.99 -56.11 22.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.888 HG21 HD13 ' A' ' 50' ' ' LEU . 2.0 m -46.29 -62.98 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.18 -37.49 69.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 27' ' ' THR . 3.5 m -64.13 -36.52 84.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 28' ' ' SER . 45.6 t -60.5 -53.15 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.892 HD21 ' O ' ' A' ' 50' ' ' LEU . 31.0 mt -54.73 -26.54 34.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.22 30.64 4.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.147 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -136.49 101.9 4.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.732 . . . . 0.0 109.603 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -83.27 73.09 10.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.91 97.8 1.68 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -23.34 14.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.551 1.816 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -13.16 58.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -104.46 36.37 2.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.487 HG21 HD21 ' A' ' 50' ' ' LEU . 3.7 p -174.94 152.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.79 -176.21 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.478 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . . . -98.73 -14.65 19.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 p -108.06 20.57 18.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.401 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -83.59 148.78 55.84 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.449 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.49 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -75.03 104.75 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.731 ' HA ' HD12 ' A' ' 50' ' ' LEU . 28.1 p90 -46.68 -24.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -59.64 -22.59 62.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.242 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -90.31 -6.9 54.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.892 ' O ' HD21 ' A' ' 33' ' ' LEU . 39.0 mt -92.13 33.98 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 43.81 28.81 1.23 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.76 ' HE2' HD22 ' A' ' 60' ' ' LEU . 2.4 m-30 -99.21 140.03 33.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -158.74 -66.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.491 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 58.5 m -129.4 -80.79 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.4 -62.2 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.609 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -58.95 -30.73 68.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 54' ' ' SER . . . -69.7 -29.76 67.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.5 t -90.37 -23.93 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -28.51 63.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.76 HD22 ' HE2' ' A' ' 52' ' ' PHE . 4.4 tp -90.73 -28.83 18.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -73.14 -27.01 61.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.445 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -83.66 -23.18 31.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 tt -87.97 -46.41 9.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 64' ' ' LEU . 12.9 mt -59.72 -16.17 25.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -58.53 -17.79 24.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -106.17 21.13 17.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.696 ' HB2' HD22 ' A' ' 24' ' ' LEU . . . -132.7 11.6 4.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 1.093 HG21 HD22 ' A' ' 90' ' ' LEU . 1.1 p -147.49 -53.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.46 3.49 22.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.618 HD21 ' HG2' ' A' ' 93' ' ' GLU . 0.6 OUTLIER -121.92 179.16 4.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.472 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -83.59 3.11 34.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.714 HD23 ' HZ ' ' A' ' 89' ' ' PHE . 0.5 OUTLIER 56.57 156.09 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.54 ' CG ' ' CE1' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.03 152.94 41.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 94.8 p -77.17 -24.36 51.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.093 . . . . 0.0 109.948 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 78' ' ' PHE . 18.7 p -92.75 1.85 57.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 110.42 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.685 ' CD1' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -45.63 -47.49 14.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.731 HG12 ' O ' ' A' ' 77' ' ' VAL . 69.0 t -90.88 36.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -144.36 -43.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.37 -8.39 57.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.838 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -104.53 105.45 50.18 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.563 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -75.02 -31.87 5.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -143.03 171.03 14.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.747 ' HB2' ' CZ ' ' A' ' 26' ' ' ARG . . . -62.91 -52.37 63.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.81 -25.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.447 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -90.18 -32.94 16.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.838 HG23 ' CG ' ' A' ' 80' ' ' HIS . 0.4 OUTLIER -65.21 -49.85 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.958 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.838 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -47.82 -43.54 28.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.2 -54.13 34.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.714 ' HZ ' HD23 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -48.24 -40.78 25.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 0.722 . . . . 0.0 110.985 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.093 HD22 HG21 ' A' ' 68' ' ' THR . 12.0 mt -75.41 -53.71 8.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 95' ' ' GLY . 2.5 t70 -46.16 -52.16 12.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.32 -35.63 74.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.618 ' HG2' HD21 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -71.37 -27.72 63.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.778 HD11 HG22 ' A' ' 68' ' ' THR . 18.4 mt -90.08 -21.21 22.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.91 -69.19 0.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -55.73 -42.41 75.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -54.59 -55.55 28.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.7 m -64.37 -45.02 89.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.72 -17.3 55.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -89.3 -45.9 9.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.587 HD11 HG22 ' A' ' 68' ' ' THR . 1.7 mm? -55.7 -55.96 26.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.475 HG22 ' HB2' ' A' ' 87' ' ' ALA . 79.6 t -51.92 -67.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -38.78 -42.39 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.0 tt -70.86 -47.85 57.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 22' ' ' VAL . 9.5 t -51.06 -67.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.691 ' NH1' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -45.14 -68.89 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 31' ' ' THR . 27.4 m -39.13 -48.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.446 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.513 ' O ' HG12 ' A' ' 32' ' ' VAL . 42.2 t -63.26 -57.24 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.751 ' O ' HD12 ' A' ' 33' ' ' LEU . 3.6 m -53.27 -30.01 36.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.351 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.42 -29.46 22.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' THR . 20.8 m -73.68 -52.03 14.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.454 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 28' ' ' SER . 7.3 p -48.99 -51.36 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.751 HD12 ' O ' ' A' ' 29' ' ' THR . 9.1 mt -53.75 -26.45 23.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 31' ' ' THR . . . 98.86 49.12 1.67 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -147.55 167.42 24.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 0.733 . . . . 0.0 109.637 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -144.09 47.34 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.07 80.59 64.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -19.09 18.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -3.51 35.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.518 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -118.55 38.29 3.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 40' ' ' ALA . 67.9 t -156.74 136.36 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.45 166.91 11.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.31 -19.37 28.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -111.9 32.03 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -93.68 159.22 35.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 133.39 16.53 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.55 1.816 . . . . 0.0 111.05 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.61 ' CG ' ' N ' ' A' ' 48' ' ' LYS . 12.4 p90 -70.5 -46.59 63.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 111.049 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.61 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -56.63 -18.66 12.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -77.8 -36.2 50.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.667 ' HB3' HD11 ' A' ' 33' ' ' LEU . 13.9 mt -56.18 -34.62 66.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.54 37.06 0.8 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.642 ' CD2' HG11 ' A' ' 77' ' ' VAL . 5.5 m-85 -97.26 153.14 18.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.784 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.06 -74.84 0.2 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.439 ' O ' HG23 ' A' ' 58' ' ' VAL . 68.5 m -140.41 -52.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.7 -51.12 64.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.45 88.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.495 ' HB1' ' HB ' ' A' ' 77' ' ' VAL . . . -70.14 -36.89 75.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 54' ' ' SER . 3.3 t -70.83 -56.95 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -37.21 18.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.469 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 28.8 tp -62.02 -54.79 36.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.418 ' NH1' HD21 ' A' ' 65' ' ' ASN . 0.1 OUTLIER -47.64 -51.21 22.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -50.67 -30.8 14.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.05 -40.35 13.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.496 ' HB3' HD21 ' A' ' 90' ' ' LEU . 2.8 mt -57.75 -32.19 67.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.418 HD21 ' NH1' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -60.95 -19.99 61.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.67 -15.92 20.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.86 -35.5 74.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.241 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.819 ' CG2' HD23 ' A' ' 90' ' ' LEU . 30.7 p -119.15 -39.35 2.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.7 -2.33 32.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.721 HD11 ' HB3' ' A' ' 93' ' ' GLU . 1.1 pp -111.77 -174.74 2.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.75 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.639 ' O ' HD12 ' A' ' 70' ' ' LEU . 10.7 ptp85 -85.94 -178.55 6.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.543 HD11 HD21 ' A' ' 90' ' ' LEU . 77.3 mt -155.42 158.04 31.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 151.3 39.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.2 t -71.58 -18.32 62.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.03 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 78' ' ' PHE . 24.2 p -89.86 -5.71 56.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.398 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.023 HD23 HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -40.58 -58.44 1.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.335 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.023 HG23 HD23 ' A' ' 76' ' ' LEU . 70.5 t -87.94 38.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.481 ' N ' ' O ' ' A' ' 75' ' ' THR . 7.4 t80 -143.84 -44.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.59 -15.8 36.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.556 ' C ' ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -90.23 127.59 52.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.61 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.01 -47.44 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.539 1.81 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.1 178.43 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.691 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . . . -63.58 -48.43 77.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -38.93 -36.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -75.58 -54.6 6.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.49 HG22 HD11 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -47.28 -46.68 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.475 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -49.3 -46.27 46.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.55 -63.48 4.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.49 ' O ' ' CG ' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -39.47 -39.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 111.012 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.819 HD23 ' CG2' ' A' ' 68' ' ' THR . 2.6 mp -75.76 -49.7 17.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.538 ' HA ' HD21 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -56.86 -35.82 69.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.245 -179.961 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.25 -32.44 55.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.721 ' HB3' HD11 ' A' ' 70' ' ' LEU . 5.7 mm-40 -76.16 -28.42 57.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.538 HD21 ' HA ' ' A' ' 91' ' ' ASP . 4.1 pp -91.07 -23.16 20.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.996 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.436 ' NH1' ' O ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.53 -55.92 21.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 9.5 mm-40 -55.34 -36.19 66.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ttm-85 -68.17 -48.42 65.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.6 m -67.62 -50.16 59.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.77 -15.26 52.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 5.7 tt0 -89.17 -55.27 3.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.743 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -61.85 -38.93 90.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.576 HG12 ' N ' ' A' ' 23' ' ' ARG . 2.4 t -53.36 -74.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.576 ' N ' HG12 ' A' ' 22' ' ' VAL . 1.1 ttt180 -42.02 -33.2 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -70.61 -54.42 12.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 21' ' ' LEU . 90.9 t -47.79 -47.09 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -53.91 -61.75 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 m -60.42 -22.83 63.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.572 ' O ' HD23 ' A' ' 63' ' ' LEU . 1.2 p -73.41 -36.66 66.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.009 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.661 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 2.6 m -76.37 -51.68 11.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.417 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.48 -32.49 3.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.5 m -58.56 -34.1 70.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.388 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.781 HG11 ' HB1' ' A' ' 56' ' ' ALA . 13.2 t -65.3 -20.09 26.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.591 HD11 ' O ' ' A' ' 50' ' ' LEU . 54.9 mt -102.1 28.05 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 38.59 47.0 2.21 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -131.9 159.39 38.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 109.606 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.33 64.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -165.75 112.06 0.77 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -18.52 18.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -19.28 43.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.58 31.73 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -176.14 157.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.5 178.96 4.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.24 -28.24 21.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.3 p -115.0 41.22 2.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.424 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.48 157.26 34.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 111.68 3.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.454 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 8.8 p90 -58.67 -14.66 8.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.04 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.47 -10.05 59.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -95.72 -28.14 14.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.958 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.597 HD11 ' CD2' ' A' ' 52' ' ' PHE . 4.1 pp -79.72 -16.37 55.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.436 ' O ' HD12 ' A' ' 50' ' ' LEU . . . 93.76 115.92 2.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.661 ' CZ ' HG23 ' A' ' 29' ' ' THR . 0.1 OUTLIER -156.07 144.65 20.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.754 . . . . 0.0 111.032 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.543 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 65.5 m-20 -153.38 -175.16 5.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -59.31 -15.5 16.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.005 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.55 -58.0 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.781 ' HB1' HG11 ' A' ' 32' ' ' VAL . . . -66.21 -36.46 83.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.9 ' HB1' HG11 ' A' ' 77' ' ' VAL . . . -65.8 -37.04 85.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 t -75.17 -32.67 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -72.09 -24.91 61.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.481 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 10.4 tp -77.88 -57.78 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.842 HH21 ' HB3' ' A' ' 74' ' ' SER . 5.7 tmm_? -53.45 -22.96 8.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -83.22 -27.38 30.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 28' ' ' SER . 30.5 tp -89.1 -41.27 12.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.591 ' HB3' HD13 ' A' ' 72' ' ' LEU . 3.8 mt -50.97 -22.54 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 61' ' ' ARG . 3.2 m-80 -53.61 -32.58 51.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.69 18.73 6.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.485 ' CB ' HD21 ' A' ' 24' ' ' LEU . . . -115.96 -9.81 11.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.177 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.945 HG21 HD22 ' A' ' 90' ' ' LEU . 1.3 p -150.09 -45.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.421 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 123.83 -17.94 7.63 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.609 HD13 ' OE1' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -93.74 -169.31 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.779 . . . . 0.0 109.327 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.609 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -102.81 0.32 32.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.153 . . . . 0.0 110.303 179.957 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.806 HD11 HD21 ' A' ' 90' ' ' LEU . 0.3 OUTLIER 48.85 167.32 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.401 ' HG2' ' CB ' ' A' ' 76' ' ' LEU . 18.3 Cg_endo -74.99 148.66 35.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.809 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.842 ' HB3' HH21 ' A' ' 61' ' ' ARG . 26.8 p -81.49 -20.99 39.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.1 p -92.8 3.64 55.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.427 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.7 HD13 HD23 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -64.18 -59.92 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.9 HG11 ' HB1' ' A' ' 57' ' ' ALA . 2.6 p -39.48 -29.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.445 ' N ' ' C ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -94.93 -44.14 7.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.438 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 9.9 t0 -65.36 -19.8 66.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.718 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -102.7 110.38 63.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.562 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.462 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.02 -27.47 9.96 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.449 1.763 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 0.4 OUTLIER -147.13 170.92 16.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.47 -45.17 95.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.94 -29.77 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.462 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -73.63 -60.57 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.718 HG23 ' CG ' ' A' ' 80' ' ' HIS . 63.4 t -39.85 -49.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.413 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -45.87 -50.27 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -58.67 -68.43 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.3 OUTLIER -37.18 -33.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 0.74 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.945 HD22 HG21 ' A' ' 68' ' ' THR . 19.5 mt -85.28 -52.16 6.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.83 -33.75 57.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.88 72.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.609 ' OE1' HD13 ' A' ' 70' ' ' LEU . 21.9 tt0 -76.33 -24.4 54.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.606 HD11 HG22 ' A' ' 68' ' ' THR . 14.5 mt -90.01 -22.12 22.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.436 ' O ' ' NH1' ' A' ' 14' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.16 -73.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' GLU . 20.3 tp10 -42.75 -41.92 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.352 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.483 ' HD3' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -60.52 -51.17 70.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.6 m -64.44 -45.34 87.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.392 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.67 -23.69 65.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 16' ' ' GLU . 3.6 tt0 -80.76 -48.12 12.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.709 HD22 ' CD1' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -63.02 -57.05 11.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 21' ' ' LEU . 3.4 t -40.0 -57.52 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -56.61 -38.64 72.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.499 HD22 ' CB ' ' A' ' 67' ' ' ALA . 8.3 tt -67.6 -60.78 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.695 HG11 HG11 ' A' ' 86' ' ' VAL . 46.3 t -39.17 -64.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.7 -72.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 m -48.43 -51.75 25.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.432 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.1 t -46.17 -46.95 17.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.892 ' O ' HG12 ' A' ' 32' ' ' VAL . 1.3 m -63.53 -72.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.427 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.61 -46.6 5.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.468 HG23 ' OD1' ' A' ' 36' ' ' ASP . 9.1 m -51.33 -41.02 60.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.426 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.892 HG12 ' O ' ' A' ' 29' ' ' THR . 0.8 OUTLIER -57.41 -25.39 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.867 HD13 HG13 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -98.09 32.3 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.02 22.11 5.99 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.597 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 62.3 m170 -79.66 -101.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 0.0 109.614 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.597 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 6.4 m-20 90.17 42.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -164.04 86.26 1.2 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' VAL . 18.1 Cg_endo -75.03 -15.0 20.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.767 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 38' ' ' PRO . 29.4 pttt -40.29 -29.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' PRO . . . -114.69 54.19 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -160.05 150.37 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 -99.51 167.59 10.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.99 -7.22 52.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -130.54 32.27 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.383 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -89.82 160.82 40.28 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 107.95 2.6 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 1.017 ' CZ ' ' HB2' ' A' ' 83' ' ' ALA . 1.8 m-85 -68.33 -35.89 78.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -19.19 7.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.77 -27.37 20.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.4 mt -50.34 -41.13 50.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 132.93 55.27 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.68 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 4.7 m-85 -119.73 152.1 37.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 0.781 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -157.38 -65.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 58' ' ' VAL . 49.5 m -146.05 -63.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.974 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 55' ' ' LEU . 9.2 mt -56.58 -51.96 66.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.465 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -65.76 -28.68 69.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.55 -32.28 60.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 54' ' ' SER . 3.1 t -84.0 -25.31 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.467 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . 1.5 ttt180 -75.57 -27.73 58.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.68 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 32.3 tp -75.5 -56.38 4.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 71' ' ' ARG . 6.1 ttm180 -46.65 -53.5 11.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -53.99 -23.59 13.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -89.91 -59.25 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.647 ' HB3' HD11 ' A' ' 72' ' ' LEU . 9.7 mt -48.75 -23.43 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 61' ' ' ARG . 0.8 OUTLIER -55.31 -29.68 58.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.59 3.05 26.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.499 ' CB ' HD22 ' A' ' 24' ' ' LEU . . . -122.23 2.92 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.953 ' CG2' HD21 ' A' ' 72' ' ' LEU . 24.7 p -130.65 -68.02 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.37 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.93 -12.68 6.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 65' ' ' ASN . 0.5 OUTLIER -116.43 -170.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 179.941 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.5 ' O ' ' CD ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -88.39 4.95 44.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.306 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.953 HD21 ' CG2' ' A' ' 68' ' ' THR . 91.5 mt 55.9 162.12 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.076 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.556 ' CG ' ' CE1' ' A' ' 89' ' ' PHE . 18.1 Cg_endo -75.05 132.42 15.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.2 p -55.18 -22.09 16.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 78' ' ' PHE . 59.2 p -87.77 -1.37 57.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.822 ' CD1' HD13 ' A' ' 72' ' ' LEU . 4.5 tt -43.36 -57.33 3.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 77' ' ' VAL . 95.3 t -89.11 24.24 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -138.61 6.97 2.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -147.61 18.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.901 ' CB ' HG23 ' A' ' 86' ' ' VAL . 3.2 p-80 -119.99 105.3 42.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.593 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.431 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 18.3 Cg_endo -75.02 -11.95 21.46 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.454 1.766 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 81' ' ' PRO . 26.6 m120 -162.14 -176.57 5.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 1.017 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . . . -81.82 -46.36 14.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -14.37 20.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.8 -40.58 12.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.901 HG23 ' CB ' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -58.41 -58.67 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.636 ' N ' HG12 ' A' ' 86' ' ' VAL . . . -46.29 -37.44 7.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.64 -40.91 96.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.785 ' CE2' HD23 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -61.35 -51.28 69.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 0.78 . . . . 0.0 110.998 -179.949 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.785 HD23 ' CE2' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -64.73 -48.43 74.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 95' ' ' GLY . 21.8 t70 -40.94 -57.47 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.68 -39.01 57.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 90' ' ' LEU . 3.7 tt0 -71.88 -25.53 61.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 mt -88.26 -22.59 23.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.88 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -38.92 -57.39 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -54.42 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 m -58.21 -39.32 78.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.37 -17.06 60.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.8 tt0 -82.48 -43.62 17.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.1 mm? -54.93 -46.48 74.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.521 ' CG2' ' CB ' ' A' ' 87' ' ' ALA . 2.6 t -61.27 -68.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.453 ' N ' HG12 ' A' ' 22' ' ' VAL . 2.3 mmt180 -47.23 -33.21 5.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.453 HD23 ' N ' ' A' ' 25' ' ' VAL . 2.1 tt -66.57 -49.77 65.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 21' ' ' LEU . 46.7 t -55.09 -34.85 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.902 HH21 ' CB ' ' A' ' 43' ' ' ALA . 78.9 mmt-85 -58.32 -63.34 1.31 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -66.64 -44.46 81.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 t -53.15 -42.22 65.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.818 ' O ' HG12 ' A' ' 32' ' ' VAL . 75.9 m -77.78 -57.19 3.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.02 -26.18 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.435 ' N ' ' C ' ' A' ' 29' ' ' THR . 89.1 m -83.81 -38.92 20.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.391 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.85 HG21 ' HB2' ' A' ' 60' ' ' LEU . 1.4 p -56.16 -25.91 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.851 HD11 ' O ' ' A' ' 51' ' ' GLY . 4.0 mm? -91.04 10.1 28.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 65.86 54.72 23.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -147.33 -177.22 5.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.585 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -161.25 70.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -169.8 111.78 0.48 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -12.05 21.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.07 -6.7 44.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.93 37.94 2.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -176.58 160.78 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.56 173.84 8.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.902 ' CB ' HH21 ' A' ' 26' ' ' ARG . . . -80.53 -31.61 36.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.482 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 2.4 p -112.42 40.47 2.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 0.0 110.363 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.43 152.46 37.8 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.443 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.45 ' HG2' ' CG ' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -74.97 120.04 5.91 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.536 1.809 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.613 ' CD1' ' CE1' ' A' ' 80' ' ' HIS . 25.7 p90 -48.66 -47.91 40.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.515 ' N ' ' CD2' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -47.74 -55.89 8.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.45 ' CG ' ' HG2' ' A' ' 46' ' ' PRO . 15.5 mm-40 -44.1 -39.71 4.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.675 ' O ' HD12 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -93.16 45.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.851 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 38.58 92.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.721 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -162.59 124.9 2.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 110.976 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.638 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -170.55 126.74 0.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 58' ' ' VAL . 3.4 m 32.72 -88.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.638 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -34.5 -78.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.96 -36.11 59.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.82 ' HB1' ' HB ' ' A' ' 77' ' ' VAL . . . -60.02 -27.05 66.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 54' ' ' SER . 1.1 t -83.99 -57.61 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.434 ' N ' HG12 ' A' ' 58' ' ' VAL . 12.7 ttt180 -38.21 -30.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.85 ' HB2' HG21 ' A' ' 32' ' ' VAL . 1.8 tp -85.38 -50.72 7.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -49.21 -28.2 4.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.257 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.443 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -71.54 -33.08 68.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -87.63 -40.78 13.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.528 HD22 ' CD2' ' A' ' 90' ' ' LEU . 7.6 mt -50.18 -22.97 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -57.96 -20.48 38.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.03 -18.46 21.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.19 -42.95 99.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.464 ' HB ' HD23 ' A' ' 70' ' ' LEU . 3.0 p -111.68 -30.97 7.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.2 4.03 53.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.922 HD11 ' HG2' ' A' ' 93' ' ' GLU . 0.6 OUTLIER -125.49 -173.49 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.424 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 3.8 mtt180 -85.39 167.33 15.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.504 HD21 ' HG ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -153.15 162.79 25.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.944 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.987 ' O ' HD23 ' A' ' 76' ' ' LEU . 18.3 Cg_endo -75.0 142.29 27.67 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.495 ' OG ' HG22 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -75.58 -16.16 60.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.057 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 78' ' ' PHE . 67.1 p -89.71 -8.05 53.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.364 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.987 HD23 ' O ' ' A' ' 73' ' ' PRO . 1.4 pp -46.81 -42.01 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.82 ' HB ' ' HB1' ' A' ' 57' ' ' ALA . 20.6 t -87.08 38.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' THR . 2.8 t80 -138.74 -44.21 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.31 6.96 44.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.613 ' CE1' ' CD1' ' A' ' 47' ' ' PHE . 5.5 p-80 -96.13 126.64 43.57 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.478 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.4 Cg_endo -75.04 -27.26 10.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.482 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -165.01 160.48 19.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' ALA . . . -46.84 -48.7 20.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -38.88 -29.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.99 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.478 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -77.5 -53.75 7.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.551 HG23 ' CD2' ' A' ' 80' ' ' HIS . 55.0 t -42.32 -49.29 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.521 ' CB ' ' CG2' ' A' ' 22' ' ' VAL . . . -47.0 -42.26 17.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -67.27 -64.59 3.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -39.83 -30.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.75 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.528 ' CD2' HD22 ' A' ' 64' ' ' LEU . 6.7 mp -84.18 -46.79 11.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.761 ' HA ' HD23 ' A' ' 94' ' ' LEU . 2.1 t70 -61.44 -39.56 91.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.22 -28.28 61.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.922 ' HG2' HD11 ' A' ' 70' ' ' LEU . 10.9 tt0 -84.52 -23.98 29.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.761 HD23 ' HA ' ' A' ' 91' ' ' ASP . 0.3 OUTLIER -89.96 -26.38 20.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.993 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.852 HH21 HG21 ' A' ' 18' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.99 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -57.9 -33.25 68.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.661 HH21 ' HG ' ' A' ' 21' ' ' LEU . 2.2 tpt180 -59.36 -52.82 63.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.852 HG21 HH21 ' A' ' 14' ' ' ARG . 95.0 m -65.35 -48.24 73.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.85 -18.27 63.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 2.1 tp10 -89.95 -43.75 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.661 ' HG ' HH21 ' A' ' 17' ' ' ARG . 2.7 mt -65.82 -27.41 68.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.25 -64.12 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.604 ' CZ ' HG21 ' A' ' 27' ' ' THR . 4.1 tmt_? -54.78 -36.11 64.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.691 HD23 ' N ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -63.3 -53.34 54.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.932 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.752 HG22 HD21 ' A' ' 64' ' ' LEU . 2.1 t -51.42 -42.37 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.6 mtm105 -55.65 -60.6 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.604 HG21 ' CZ ' ' A' ' 23' ' ' ARG . 2.0 p -62.57 -49.14 76.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.437 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.609 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.4 t -47.9 -50.89 25.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.988 ' CG2' HD13 ' A' ' 50' ' ' LEU . 27.3 m -60.9 -61.69 2.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 110.442 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.93 -33.11 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 m -72.29 -38.88 68.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.639 HG13 ' HB3' ' A' ' 59' ' ' ARG . 53.3 t -56.22 -37.34 49.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.663 HD23 ' CE1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -90.07 13.76 14.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.23 -43.73 3.23 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.479 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.9 p80 -170.51 -173.02 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.777 . . . . 0.0 109.562 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER 157.2 -26.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 7.9 t0 81.61 125.29 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.05 19.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.441 1.758 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -73.42 -10.31 59.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.35 -19.94 18.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.423 HG12 ' H ' ' A' ' 43' ' ' ALA . 30.5 t -87.86 124.63 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.725 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 8.2 mtm180 -100.66 2.59 41.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 86.62 -44.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.458 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 1.2 p -82.4 8.69 10.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.409 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.952 HG23 ' H ' ' A' ' 47' ' ' PHE . 1.3 t -51.45 152.8 4.22 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.382 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.531 ' HD2' ' OG1' ' A' ' 45' ' ' THR . 18.4 Cg_endo -74.95 6.62 3.27 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.466 1.771 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.952 ' H ' HG23 ' A' ' 45' ' ' THR . 2.4 t80 63.95 -61.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 46' ' ' PRO . 7.3 mttt -42.08 -28.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -54.54 -31.23 56.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.988 HD13 ' CG2' ' A' ' 29' ' ' THR . 4.4 mt -68.77 -22.13 64.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.67 -0.01 76.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.11 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.663 ' CE1' HD23 ' A' ' 33' ' ' LEU . 1.9 m-85 -46.31 152.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -150.1 -83.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.4 m -126.36 -60.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.46 -53.06 61.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.612 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -60.03 -42.51 94.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.699 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -65.82 -23.92 66.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.17 -38.04 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.639 ' HB3' HG13 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -64.5 -38.54 91.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.513 ' HB2' HG21 ' A' ' 32' ' ' VAL . 5.7 tp -68.87 -30.47 68.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.457 ' NH1' ' O ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -70.15 -48.65 56.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -57.39 -27.11 62.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.42 ' C ' ' N ' ' A' ' 65' ' ' ASN . 0.2 OUTLIER -89.94 -59.72 2.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.355 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.069 HD22 HD21 ' A' ' 90' ' ' LEU . 13.7 mt -43.54 -27.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 69' ' ' GLY . 0.8 OUTLIER -53.1 -40.73 64.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -78.22 -20.45 51.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.585 ' HB1' ' CD2' ' A' ' 21' ' ' LEU . . . -73.42 -32.66 64.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.837 HG23 HD23 ' A' ' 90' ' ' LEU . 20.3 p -109.08 -61.12 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.442 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 134.55 -15.46 4.4 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.85 -169.92 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.562 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -87.33 1.06 54.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.34 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.931 HD13 ' CD1' ' A' ' 76' ' ' LEU . 13.1 mt 50.51 166.09 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.361 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 72' ' ' LEU . 18.1 Cg_endo -75.0 137.02 21.17 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.7 p -64.08 -16.42 61.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.514 ' CG2' ' HB2' ' A' ' 79' ' ' ASP . 0.9 OUTLIER -89.29 -8.2 53.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.931 ' CD1' HD13 ' A' ' 72' ' ' LEU . 9.0 tt -40.87 -54.14 2.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.792 HG12 ' O ' ' A' ' 77' ' ' VAL . 52.5 t -84.83 43.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.3 OUTLIER -150.02 -48.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.514 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 1.6 t70 -86.57 -0.82 56.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 80' ' ' HIS . 1.5 p-80 -101.04 107.72 51.23 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.554 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -74.99 -31.2 6.41 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -143.33 175.25 10.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.94 -50.56 65.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.533 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 1.0 OUTLIER -41.23 -45.6 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.437 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -60.47 -59.51 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.493 ' CG1' HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -44.61 -43.41 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.961 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 84' ' ' SER . . . -49.13 -57.06 7.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.86 -56.8 18.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.22 -39.61 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.784 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.069 HD21 HD22 ' A' ' 64' ' ' LEU . 4.2 mp -70.65 -42.68 70.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.502 ' OD1' ' CG ' ' A' ' 14' ' ' ARG . 1.7 t70 -61.28 -46.77 88.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.39 -34.18 72.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -75.73 -25.57 56.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.535 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.7 mt -84.74 -26.69 27.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.404 ' N ' ' HG2' ' A' ' 4' ' ' MET . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -153.76 -52.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 110.033 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -59.0 -18.46 34.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.404 ' HG2' ' N ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -69.22 -6.25 27.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' MET . 0.5 OUTLIER -40.37 -63.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -45.98 -57.37 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.74 -43.05 3.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -67.43 -40.47 85.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 6' ' ' ARG . 4.2 mm? -56.47 -57.15 13.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.34 20.13 4.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -114.74 -16.21 7.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.477 1.11 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mt -71.5 155.51 92.54 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 162.86 36.43 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.479 1.779 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.426 ' HA ' ' NH1' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -53.02 -51.77 60.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.11 -76.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -39.73 -42.4 1.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' NH1' ' HA ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -59.15 -55.31 36.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.3 m -60.71 -46.73 89.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.381 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.32 -17.98 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -87.35 -56.73 3.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' CD2' HD23 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -57.93 -39.37 77.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.584 HG22 ' HB2' ' A' ' 87' ' ' ALA . 9.8 t -54.22 -62.19 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.89 -43.01 13.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 25' ' ' VAL . 1.4 tt -67.95 -49.87 59.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.472 ' N ' HD23 ' A' ' 24' ' ' LEU . 10.6 t -52.86 -45.66 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -56.2 -65.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -54.37 -46.04 72.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.2 t -58.74 -52.55 65.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.785 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 53.8 m -49.21 -57.4 6.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.436 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.64 -29.36 67.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -37.57 86.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.817 HG12 HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -57.42 -30.84 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.817 HD22 HG12 ' A' ' 32' ' ' VAL . 2.3 mm? -74.92 -15.44 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.31 44.17 5.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -160.21 138.72 10.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.626 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -99.14 66.65 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.416 ' OD2' ' HB2' ' A' ' 40' ' ' ALA . 10.3 t70 -133.04 100.99 13.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.483 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.1 Cg_endo -75.02 -14.49 21.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.77 . . . . 0.0 110.956 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -64.33 -12.53 43.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.416 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . . . -99.23 28.0 4.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 38' ' ' PRO . 2.8 p -163.73 148.15 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.623 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 13.6 mtp180 -138.11 23.11 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.366 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.673 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . . . 78.46 -54.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.473 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 6.4 m -93.31 39.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.762 HG21 HD21 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -95.98 159.47 32.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 109.87 3.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.89 ' HA ' HD12 ' A' ' 50' ' ' LEU . 6.7 p90 -58.85 -45.26 90.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.643 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 10.5 tptt -52.9 -41.42 64.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.54 -40.31 80.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.89 HD12 ' HA ' ' A' ' 47' ' ' PHE . 63.7 mt -49.6 -35.1 19.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.44 45.16 0.8 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.785 ' CZ ' HG23 ' A' ' 29' ' ' THR . 26.1 m-85 -111.17 134.89 52.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.746 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.18 -77.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 58' ' ' VAL . 12.2 m -129.45 -63.91 0.92 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.14 -54.32 45.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.96 -22.08 62.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.456 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -79.1 -28.65 43.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' SER . 0.9 OUTLIER -88.48 -42.21 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.465 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -50.05 -38.4 37.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.706 HD13 ' HA ' ' A' ' 29' ' ' THR . 2.8 tp -73.76 -50.0 22.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.649 ' HB2' HD21 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -56.65 -32.87 65.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -65.61 -43.35 89.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.68 -42.66 58.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.78 HD13 HD21 ' A' ' 90' ' ' LEU . 9.2 mt -57.73 -17.79 17.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.414 ' ND2' ' HG3' ' A' ' 71' ' ' ARG . 26.5 t-20 -60.9 -35.31 76.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.37 13.33 11.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.76 0.45 9.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.841 HG21 ' HG ' ' A' ' 90' ' ' LEU . 4.5 p -140.62 -50.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.36 -19.65 8.07 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.559 HD12 ' H ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -107.73 -169.59 1.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 0.739 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -101.71 4.66 40.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.744 HD11 ' HB3' ' A' ' 64' ' ' LEU . 14.6 mt 55.74 159.78 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.719 ' O ' HD23 ' A' ' 76' ' ' LEU . 18.5 Cg_endo -74.9 143.09 28.98 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 111.035 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.0 m -63.2 -19.05 64.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.949 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.7 p -90.41 -7.41 53.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.725 ' CD1' HG23 ' A' ' 77' ' ' VAL . 1.3 pp -48.42 -44.18 34.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.776 HG12 ' O ' ' A' ' 77' ' ' VAL . 54.3 t -90.25 36.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.97 -43.87 0.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.57 -16.68 38.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.691 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -93.9 111.8 54.43 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.625 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -29.58 8.18 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.772 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.473 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 3.6 m-80 -146.87 173.75 12.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.673 ' HB3' ' HA ' ' A' ' 43' ' ' ALA . . . -60.02 -48.03 83.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.68 -32.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.19 -50.08 12.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.691 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 55.6 t -46.33 -47.74 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.584 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -48.78 -41.21 31.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -67.11 -66.92 2.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.06 -40.34 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.841 ' HG ' HG21 ' A' ' 68' ' ' THR . 6.7 mp -71.21 -43.1 68.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 88' ' ' GLY . 12.3 t0 -59.44 -48.69 80.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.2 -32.35 68.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HB3' HD21 ' A' ' 70' ' ' LEU . 5.6 mm-40 -77.63 -24.53 49.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.7 mt -86.62 -25.66 24.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p -134.35 166.81 21.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.969 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -107.28 -28.1 10.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.57 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -3.06 50.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.15 -26.42 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.681 ' O ' HD12 ' A' ' 9' ' ' LEU . 9.0 ptt180 -53.14 -20.27 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -70.55 -35.23 72.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -20.48 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 6' ' ' ARG . 12.3 mt -59.08 -16.8 21.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.42 63.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 132.78 -8.3 5.21 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.465 HD23 ' HG2' ' A' ' 16' ' ' GLU . 1.3 mp 37.95 71.75 0.99 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.562 0.801 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 179.04 6.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.545 1.813 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -44.69 -51.26 9.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 110.329 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.11 -53.22 10.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.548 ' CD ' HD23 ' A' ' 9' ' ' LEU . 19.0 tp10 -61.62 -54.14 46.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -24.87 42.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ARG . 93.0 m -88.48 -33.38 17.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.425 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.5 -38.83 48.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 21' ' ' LEU . 6.8 pt-20 -57.59 -32.99 67.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.702 HD21 ' CG2' ' A' ' 68' ' ' THR . 0.8 OUTLIER -75.56 -47.43 26.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.496 HG22 ' HB2' ' A' ' 87' ' ' ALA . 16.7 t -49.72 -65.91 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.09 -41.57 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.073 HD22 ' HB2' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -71.77 -44.7 63.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.47 HG12 ' HB1' ' A' ' 83' ' ' ALA . 43.7 t -62.88 -32.14 54.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.915 ' NH1' ' HB3' ' A' ' 83' ' ' ALA . 4.6 mtp85 -70.63 -56.34 6.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.467 ' O ' ' CB ' ' A' ' 31' ' ' THR . 8.2 m -68.65 -29.25 67.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.969 ' O ' HG23 ' A' ' 32' ' ' VAL . 16.1 t -66.13 -46.44 77.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.1 m -67.37 -59.02 3.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.63 -38.44 46.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' ' 27' ' ' THR . 2.5 m -62.36 -40.56 96.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.388 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 28' ' ' SER . 48.1 t -57.38 -17.88 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.591 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 1.2 mm? -103.43 28.41 6.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . 35.14 54.25 0.91 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 33' ' ' LEU . 57.9 m-70 -149.15 118.16 6.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.594 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.82 66.88 3.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -155.46 90.3 2.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.416 ' C ' ' N ' ' A' ' 40' ' ' ALA . 18.5 Cg_endo -74.96 -13.75 21.42 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.437 1.756 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.74 -25.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -87.78 43.32 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.838 ' CG1' HH21 ' A' ' 26' ' ' ARG . 47.3 t -154.82 150.75 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.482 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 12.7 mtt180 -138.13 38.59 2.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 26' ' ' ARG . . . 70.33 -58.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 42' ' ' ARG . 82.1 p -96.64 44.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.427 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -88.75 148.14 40.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 45' ' ' THR . 18.1 Cg_endo -75.03 109.74 2.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.545 ' CD1' ' C ' ' A' ' 47' ' ' PHE . 2.4 p90 -58.67 -31.16 67.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.532 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 1.4 tmtt? -56.96 -33.29 66.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -76.44 -0.71 23.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.08 25.11 11.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.55 78.54 0.1 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.852 ' HD2' HG11 ' A' ' 77' ' ' VAL . 1.0 OUTLIER -144.96 145.44 31.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 111.04 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -157.45 -80.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -120.77 -64.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.964 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.09 -63.02 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.593 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -59.52 -33.67 71.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.381 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.446 ' HB1' ' HB ' ' A' ' 77' ' ' VAL . . . -67.83 -29.11 68.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.5 t -84.33 -34.03 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.429 ' HB3' HG13 ' A' ' 32' ' ' VAL . 1.3 ttt180 -62.16 -34.88 77.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' LEU . 30.9 tp -69.59 -61.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.15 -45.38 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -57.55 -41.37 80.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.453 HD22 ' OG ' ' A' ' 28' ' ' SER . 2.8 tt -73.41 -51.28 17.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.496 HD13 HD11 ' A' ' 90' ' ' LEU . 6.4 mt -46.53 -25.79 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 63' ' ' LEU . 4.4 t-20 -53.68 -29.03 36.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.83 -23.6 41.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 1.073 ' HB2' HD22 ' A' ' 24' ' ' LEU . . . -81.08 -27.95 35.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 1.089 HG21 HD22 ' A' ' 90' ' ' LEU . 2.2 p -130.78 -69.17 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.34 12.96 29.77 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.635 HD23 ' HB ' ' A' ' 68' ' ' THR . 1.9 pp -97.32 -171.9 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 72' ' ' LEU . 4.3 mtt180 -88.63 63.67 7.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.975 HD21 HD21 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -40.12 151.41 0.24 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.489 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.01 146.64 32.85 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.436 1.756 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -74.35 -21.99 59.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 78' ' ' PHE . 69.7 p -90.88 1.39 57.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.865 HD11 HG13 ' A' ' 86' ' ' VAL . 1.4 tp -38.43 -60.9 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.852 HG11 ' HD2' ' A' ' 52' ' ' PHE . 82.7 t -84.31 45.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.467 ' N ' ' O ' ' A' ' 75' ' ' THR . 1.1 t80 -153.11 -42.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -93.99 -11.58 30.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.691 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -100.88 131.46 23.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.574 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.464 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -74.98 -45.78 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.459 1.768 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.5 ' C ' ' CE1' ' A' ' 80' ' ' HIS . 0.5 OUTLIER -144.23 175.73 9.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.915 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . . . -57.95 -44.4 86.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.1 -37.51 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.038 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -76.92 -47.69 20.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.865 HG13 HD11 ' A' ' 76' ' ' LEU . 75.1 t -43.99 -43.41 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.496 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -50.75 -54.66 21.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.68 -65.48 3.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.489 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -39.78 -34.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 0.0 111.02 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.089 HD22 HG21 ' A' ' 68' ' ' THR . 22.9 mt -82.18 -50.72 8.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -53.21 -47.97 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.34 -37.05 71.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.75 -21.43 57.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.899 HD11 HG22 ' A' ' 68' ' ' THR . 29.9 mt -87.07 -26.91 23.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 O-C-N 124.455 1.097 . . . . 0.0 110.949 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.86 144.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 58.04 177.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.62 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 5' ' ' LEU . 15.5 mmt -75.7 54.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.848 HD22 ' N ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -56.77 -163.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.848 ' N ' HD22 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -69.36 58.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -40.9 -30.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -45.94 -27.77 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.473 ' O ' ' CD1' ' A' ' 12' ' ' LEU . 94.0 mt -54.1 -31.76 52.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.43 16.24 3.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 8' ' ' ARG . . . -135.76 19.86 3.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 9' ' ' LEU . 2.6 mt -74.24 156.85 87.23 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.753 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.37 12.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 18' ' ' THR . 2.4 ttt85 -43.68 -52.08 6.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 18' ' ' THR . . . -41.29 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' CB ' ' HB3' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -47.31 -40.39 16.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.839 ' O ' HD23 ' A' ' 21' ' ' LEU . 11.0 tpp85 -61.44 -32.58 72.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 14' ' ' ARG . 56.4 m -80.67 -41.1 24.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.33 -39.42 71.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -66.91 -38.71 86.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.839 HD23 ' O ' ' A' ' 17' ' ' ARG . 1.2 mm? -56.47 -46.62 80.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.541 HG22 ' HB2' ' A' ' 87' ' ' ALA . 21.8 t -62.97 -63.97 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -45.31 -36.1 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.266 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.424 ' C ' HD23 ' A' ' 24' ' ' LEU . 9.6 tt -70.65 -55.69 8.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.647 HG21 HG12 ' A' ' 86' ' ' VAL . 24.2 t -49.37 -55.04 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -43.71 -71.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.2 p -53.29 -49.71 66.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.612 ' O ' HG23 ' A' ' 32' ' ' VAL . 31.8 t -49.46 -45.57 46.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.486 HG22 HD22 ' A' ' 50' ' ' LEU . 23.5 m -64.38 -60.83 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.408 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.08 -35.52 47.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.6 m -58.79 -33.86 70.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.365 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 28' ' ' SER . 44.9 t -62.34 -33.88 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.554 HD11 ' O ' ' A' ' 50' ' ' LEU . 2.4 mm? -75.23 -13.25 60.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.68 49.79 4.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.11 169.7 20.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.629 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -139.28 58.49 1.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.35 79.3 66.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.42 18.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.16 -12.6 52.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.87 -6.25 17.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.4 t -109.96 138.73 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.75 173.66 6.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.422 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . . . -89.66 -20.61 23.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -111.59 35.38 3.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -100.78 147.89 34.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.383 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.5 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.1 Cg_endo -74.99 106.54 2.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.558 1.82 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.574 ' CE2' ' O ' ' A' ' 77' ' ' VAL . 18.1 p90 -48.77 -25.34 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -29.19 62.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -81.05 -10.54 59.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.554 ' O ' HD11 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -92.71 28.3 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 39.36 67.2 0.63 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.848 ' CE1' ' HB1' ' A' ' 56' ' ' ALA . 0.6 OUTLIER -125.06 148.99 48.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 0.767 . . . . 0.0 111.006 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -157.62 -85.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' VAL . 22.5 m -117.73 -64.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -63.98 0.96 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.848 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -54.54 -36.6 64.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.454 ' HB2' HG11 ' A' ' 77' ' ' VAL . . . -68.41 -25.79 65.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.7 t -81.81 -54.32 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.552 ' HB3' HG13 ' A' ' 32' ' ' VAL . 1.8 ttt180 -56.02 -23.99 36.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.628 HD12 ' CG2' ' A' ' 77' ' ' VAL . 0.3 OUTLIER -79.11 -62.11 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.68 -38.13 2.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -53.19 -53.23 53.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 1.6 tt -67.3 -36.61 81.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 3.5 mt -51.52 -45.17 62.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -59.55 -22.74 62.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 63' ' ' LEU . . . -86.05 -20.84 28.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . -65.76 -39.0 90.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.7 p -107.85 -41.21 5.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.383 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.78 2.23 39.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.623 HD11 ' HB3' ' A' ' 93' ' ' GLU . 0.8 OUTLIER -111.27 -168.09 1.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -101.39 107.5 18.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.735 HD23 ' HD2' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -107.32 169.18 7.0 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.735 ' HD2' HD23 ' A' ' 72' ' ' LEU . 18.2 Cg_endo -74.97 165.35 31.52 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.8 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.4 p -118.24 -1.4 11.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.8 p -90.14 -23.76 21.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.442 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.011 HD22 ' N ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -45.87 -35.49 4.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.011 ' N ' HD22 ' A' ' 76' ' ' LEU . 2.3 t -49.92 -22.57 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.403 ' N ' ' C ' ' A' ' 76' ' ' LEU . 9.2 t80 -105.41 -21.14 13.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -93.58 -3.85 51.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.88 ' ND1' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -108.29 121.02 44.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.621 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.47 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -75.0 -35.83 2.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.409 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -146.56 163.77 34.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' A' ' 43' ' ' ALA . . . -50.42 -46.15 56.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -39.31 -42.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.997 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.47 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -65.34 -54.9 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.88 HG23 ' ND1' ' A' ' 80' ' ' HIS . 6.8 t -45.77 -43.51 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.541 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -49.59 -51.5 36.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -59.02 -68.14 1.83 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.456 1.098 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.5 -32.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 86' ' ' VAL . 8.4 mp -85.91 -46.05 10.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.486 ' HA ' HD23 ' A' ' 94' ' ' LEU . 1.1 t70 -63.33 -19.71 64.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -90.29 -29.88 17.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.623 ' HB3' HD11 ' A' ' 70' ' ' LEU . 3.2 mm-40 -89.4 -18.87 25.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.708 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -87.23 -29.09 21.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.13 . . . . 0.0 110.989 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 p -175.32 172.89 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.978 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -120.77 -179.36 3.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.576 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.9 mmt -81.17 100.31 9.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 8' ' ' ARG . 55.3 mt -57.72 -58.58 7.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.974 ' HA ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -40.52 -56.84 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.668 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -47.04 -43.8 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -63.88 -42.89 97.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.974 HD12 ' HA ' ' A' ' 6' ' ' ARG . 4.7 mt -62.76 -14.36 44.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 7' ' ' ASP . . . -66.34 66.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 114.25 -5.38 23.45 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.443 HD23 ' CD ' ' A' ' 16' ' ' GLU . 1.5 mp 39.46 65.15 3.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.757 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 177.41 8.62 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.1 -50.39 1.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.56 -65.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLU . 9.1 tm-20 -53.94 -41.05 67.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -58.5 -51.87 68.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -63.5 -45.52 90.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.02 -22.48 64.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -75.1 -41.76 58.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.82 HD13 ' HB1' ' A' ' 67' ' ' ALA . 1.7 mm? -64.78 -35.05 79.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.041 HG13 HH21 ' A' ' 26' ' ' ARG . 16.9 t -73.69 -70.98 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.32 -29.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' A' ' 67' ' ' ALA . 19.7 tp -78.71 -50.39 11.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 21' ' ' LEU . 9.4 t -54.02 -45.42 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 1.041 HH21 HG13 ' A' ' 22' ' ' VAL . 2.5 ttm-85 -54.02 -61.53 2.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 m -57.08 -48.82 77.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.415 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.638 ' O ' HG23 ' A' ' 32' ' ' VAL . 19.6 m -52.79 -45.48 67.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.958 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.884 HG22 HD22 ' A' ' 50' ' ' LEU . 64.6 m -61.39 -70.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.421 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.4 -38.16 8.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.0 m -54.8 -34.28 62.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 28' ' ' SER . 58.4 t -61.95 -39.89 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.666 HD23 HD23 ' A' ' 50' ' ' LEU . 1.3 mm? -73.11 -19.88 61.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.45 47.89 2.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -149.81 167.22 27.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.593 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -141.33 65.35 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.66 65.37 46.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -19.33 17.96 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -23.36 67.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.5 3.38 54.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.0 t -122.08 128.59 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.449 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -80.07 -174.88 4.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 26' ' ' ARG . . . -92.68 -21.3 20.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -104.87 35.45 2.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.39 148.54 47.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.416 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.5 4.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.507 1.793 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.639 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -62.88 -34.71 77.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.44 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 9.1 tttt -56.99 -27.59 61.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -78.13 -2.95 39.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.223 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.884 HD22 HG22 ' A' ' 29' ' ' THR . 2.0 mp -104.77 31.08 4.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 34.61 72.65 0.1 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.69 ' CE2' HG23 ' A' ' 29' ' ' THR . 2.2 m-30 -117.94 131.3 56.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.652 ' H ' ' HB3' ' A' ' 56' ' ' ALA . 12.6 m-20 -145.25 175.57 10.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' ASP . 4.5 m -39.32 -29.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.043 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.45 ' N ' ' C ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -78.8 -62.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.652 ' HB3' ' H ' ' A' ' 53' ' ' ASP . . . -57.09 -40.66 77.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.71 -34.91 78.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.6 t -71.6 -41.37 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -25.22 56.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.501 HD23 ' CG2' ' A' ' 32' ' ' VAL . 0.4 OUTLIER -77.45 -55.4 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.55 -35.38 20.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -59.36 -35.66 74.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.19 -43.5 19.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.495 ' HG ' HD13 ' A' ' 60' ' ' LEU . 3.5 mt -49.54 -32.81 13.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 69' ' ' GLY . 18.0 m120 -53.42 -25.08 14.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.92 -25.88 43.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.82 ' HB1' HD13 ' A' ' 21' ' ' LEU . . . -82.43 -18.95 40.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.619 HG21 ' HG ' ' A' ' 90' ' ' LEU . 1.8 p -132.7 -74.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 105.84 12.88 25.08 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.553 HD11 HD23 ' A' ' 72' ' ' LEU . 4.0 pp -109.99 -164.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.504 ' N ' HD12 ' A' ' 70' ' ' LEU . 5.0 mmt85 -93.48 74.73 4.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.553 HD23 HD11 ' A' ' 70' ' ' LEU . 13.3 mt -53.38 160.38 1.83 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 151.23 39.36 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 m -79.88 -19.7 47.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 78' ' ' PHE . 39.5 p -90.44 -2.51 57.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.474 HD11 HD11 ' A' ' 90' ' ' LEU . 8.1 tt -40.96 -51.6 3.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.606 ' HA ' ' CE1' ' A' ' 80' ' ' HIS . 57.8 t -87.73 44.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.461 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -155.62 -41.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.28 3.1 53.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.639 ' CE1' ' CG ' ' A' ' 47' ' ' PHE . 2.1 p-80 -104.44 107.46 57.83 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.633 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -14.12 21.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -160.22 176.36 11.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.602 ' HB3' HH12 ' A' ' 26' ' ' ARG . . . -72.06 -49.39 36.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.97 -30.75 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.961 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.03 -51.74 29.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.481 HG23 ' CD2' ' A' ' 80' ' ' HIS . 54.0 t -53.29 -47.2 57.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.487 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -47.09 -45.08 21.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.68 -64.74 3.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.54 -34.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 0.737 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.619 ' HG ' HG21 ' A' ' 68' ' ' THR . 2.5 mp -78.86 -46.27 18.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -57.07 -47.17 81.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.33 -34.26 76.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.527 ' HB3' HD21 ' A' ' 70' ' ' LEU . 3.6 mm-40 -74.25 -25.83 59.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.41 HD11 HG22 ' A' ' 68' ' ' THR . 18.0 mt -88.75 -23.54 22.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 40.72 77.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 0.752 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -119.16 -64.67 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.629 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.03 62.34 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.95 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.517 HD12 ' H ' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -89.6 -129.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.517 ' H ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -88.29 17.12 5.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -87.09 -15.13 39.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.554 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -81.74 -51.34 8.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.665 ' H ' HD22 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -64.99 -17.53 64.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.7 61.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 48.53 21.09 1.9 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 8' ' ' ARG . 5.4 mp 41.44 90.18 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.777 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 166.47 29.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.014 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -40.88 -47.39 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.288 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.03 -52.91 18.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -64.05 -37.07 86.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.6 tpp85 -59.7 -52.68 64.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 22' ' ' VAL . 32.4 m -63.74 -46.0 87.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.438 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.55 -26.06 66.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' GLU . 23.0 tt0 -76.37 -50.89 13.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.645 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.77 -42.16 92.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 18' ' ' THR . 7.2 t -50.32 -66.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 ttt85 -49.16 -32.79 10.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.607 HD13 ' CB ' ' A' ' 67' ' ' ALA . 0.8 OUTLIER -70.84 -57.28 4.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 21' ' ' LEU . 66.6 t -48.86 -37.18 8.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.438 ' NE ' ' O ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -63.44 -76.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.473 ' O ' ' CB ' ' A' ' 31' ' ' THR . 1.6 p -45.43 -46.41 13.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 31' ' ' THR . 88.5 p -51.08 -48.03 61.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.651 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 85.0 m -62.47 -65.78 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.427 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.83 -25.64 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.473 ' CB ' ' O ' ' A' ' 27' ' ' THR . 1.8 m -71.64 -33.62 69.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.376 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.756 HG12 HD22 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -62.99 -29.75 47.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.756 HD22 HG12 ' A' ' 32' ' ' VAL . 2.4 mm? -70.61 -26.27 63.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.86 28.97 6.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -136.84 150.84 48.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.592 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -126.27 55.8 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.57 84.21 51.57 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -21.4 15.94 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -43.03 -32.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.484 ' C ' HG23 ' A' ' 41' ' ' VAL . . . -104.58 52.32 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.484 HG23 ' C ' ' A' ' 40' ' ' ALA . 91.3 t -156.31 140.27 8.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.438 ' O ' ' NE ' ' A' ' 26' ' ' ARG . 28.4 mtt180 -106.02 -174.08 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.33 -22.2 16.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.8 p -116.14 36.56 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.385 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.426 HG23 ' HD2' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -92.57 142.64 26.07 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.448 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.3 Cg_endo -75.02 129.54 12.41 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.58 ' CE2' HG21 ' A' ' 29' ' ' THR . 3.8 m-85 -68.99 -24.39 64.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -19.82 27.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -99.81 -21.47 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 31.6 mt -67.29 -26.16 66.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.404 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 103.65 65.19 0.7 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.448 1.092 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.651 ' CZ ' HG23 ' A' ' 29' ' ' THR . 3.5 m-85 -128.79 148.53 50.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -146.81 -71.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.277 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.4 m -142.74 -59.01 0.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.45 -39.43 87.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 52' ' ' PHE . . . -72.39 -38.73 68.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.58 -39.22 84.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -72.79 -46.38 53.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.47 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . 5.1 mtp180 -57.88 -30.83 66.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.567 HD23 HG21 ' A' ' 77' ' ' VAL . 26.8 tp -70.49 -49.92 43.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.22 -38.17 85.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 58' ' ' VAL . 17.7 m120 -64.98 -32.03 73.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tt -84.87 -39.15 18.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.494 HD21 ' HA ' ' A' ' 25' ' ' VAL . 8.8 mt -57.9 -18.19 21.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -65.45 -18.32 65.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.07 -15.39 41.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.607 ' CB ' HD13 ' A' ' 24' ' ' LEU . . . -106.39 2.69 26.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.431 HG22 HD21 ' A' ' 21' ' ' LEU . 67.2 p -140.55 -72.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.412 ' N ' ' OG1' ' A' ' 68' ' ' THR . . . 105.01 11.56 29.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.695 HD23 HD21 ' A' ' 94' ' ' LEU . 3.5 pp -113.13 -165.6 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.54 77.9 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.629 HD21 HD23 ' A' ' 90' ' ' LEU . 32.4 mt -50.94 159.93 0.89 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.464 ' HD2' HD12 ' A' ' 76' ' ' LEU . 18.3 Cg_endo -74.94 145.99 32.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.6 p -71.76 -22.58 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.01 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.5 p -90.49 0.9 57.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.328 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.568 ' CD1' HD22 ' A' ' 72' ' ' LEU . 7.7 tt -47.61 -49.75 26.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 77' ' ' VAL . 71.1 t -89.89 20.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.56 5.45 3.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.74 16.56 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.548 ' ND1' ' CG2' ' A' ' 86' ' ' VAL . 0.2 OUTLIER -127.08 134.3 25.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.411 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.4 Cg_endo -74.99 -52.26 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.472 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 0.1 OUTLIER -133.63 -174.26 3.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.248 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.78 -43.16 66.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.66 -34.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.411 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -78.91 -45.78 19.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.563 HG13 HD21 ' A' ' 76' ' ' LEU . 40.6 t -49.67 -46.53 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.1 -55.51 14.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 89' ' ' PHE . . . -50.38 -65.73 2.8 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.6 OUTLIER -37.33 -50.23 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 111.022 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.796 ' C ' HD13 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -64.06 -54.88 27.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.575 ' N ' HD13 ' A' ' 90' ' ' LEU . 9.0 t0 -46.13 -50.06 15.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.52 -36.81 74.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.494 ' OE1' ' CD1' ' A' ' 70' ' ' LEU . 2.4 tt0 -69.66 -27.93 65.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.699 HD12 HD11 ' A' ' 90' ' ' LEU . 34.4 mt -90.21 -21.84 21.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 p 170.64 -53.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 0.743 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -40.59 -61.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.596 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.1 mmt -81.06 100.14 8.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.4 OUTLIER -63.5 -63.81 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -42.35 -32.18 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.72 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -89.93 42.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 5' ' ' LEU . 4.0 mtp180 -81.59 -47.54 12.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.3 OUTLIER -69.69 -29.67 67.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.72 ' HB3' ' OD1' ' A' ' 7' ' ' ASP . . . -67.73 62.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 129.32 -2.26 6.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.483 HD22 ' OE2' ' A' ' 16' ' ' GLU . 1.3 mt 58.17 157.28 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 175.67 10.91 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.52 1.8 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.492 ' CG ' ' OD2' ' A' ' 91' ' ' ASP . 2.3 ttp180 -49.67 -44.45 47.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.33 -67.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.483 ' OE2' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -62.1 -41.32 98.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -52.27 46.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.2 m -70.1 -43.58 70.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.381 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.97 -23.67 66.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -82.27 -59.45 2.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.402 HD21 ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -53.44 -50.91 64.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.571 HG12 ' N ' ' A' ' 23' ' ' ARG . 2.6 t -41.4 -74.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.571 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -38.93 -41.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.626 HD21 ' CB ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -65.29 -55.29 19.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.45 ' N ' HD23 ' A' ' 24' ' ' LEU . 71.4 t -42.46 -64.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.642 HH21 ' HB ' ' A' ' 45' ' ' THR . 0.1 OUTLIER -44.1 -45.47 8.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.4 m -62.88 -51.76 65.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.633 ' O ' HG23 ' A' ' 32' ' ' VAL . 17.5 m -55.03 -39.55 69.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.958 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.544 HG23 HD22 ' A' ' 60' ' ' LEU . 2.2 m -60.82 -63.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.17 -38.45 52.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.5 m -57.26 -37.97 73.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 28' ' ' SER . 79.2 t -63.75 -27.12 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.725 HD13 ' O ' ' A' ' 50' ' ' LEU . 12.4 mt -103.01 33.12 3.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 40.4 45.9 3.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.565 1.166 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -135.82 124.78 24.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 109.636 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -114.72 49.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.88 75.56 75.89 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.51 20.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.448 1.762 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -71.95 -12.56 61.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.406 ' C ' HG23 ' A' ' 41' ' ' VAL . . . -112.46 28.37 8.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.406 HG23 ' C ' ' A' ' 40' ' ' ALA . 21.2 t -151.4 125.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.447 ' O ' ' NE ' ' A' ' 26' ' ' ARG . 1.0 OUTLIER -79.57 -176.03 5.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.11 -24.98 18.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 p -106.07 38.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.642 ' HB ' HH21 ' A' ' 26' ' ' ARG . 0.8 OUTLIER -89.34 144.07 31.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.419 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.467 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.1 Cg_endo -75.03 102.59 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.59 ' HA ' HD12 ' A' ' 50' ' ' LEU . 25.2 p90 -48.08 -35.54 11.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -53.56 -21.23 6.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -92.04 -22.42 19.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.725 ' O ' HD13 ' A' ' 33' ' ' LEU . 29.0 mt -65.51 -34.59 78.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.03 38.1 1.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.507 ' CE2' ' O ' ' A' ' 56' ' ' ALA . 2.5 m-85 -101.95 150.3 23.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -150.44 -77.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 58' ' ' VAL . 19.5 m -132.22 -64.12 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.47 -52.28 64.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.598 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -61.42 -37.36 83.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.455 ' HB1' ' HB ' ' A' ' 77' ' ' VAL . . . -69.21 -32.81 72.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.6 t -78.14 -28.24 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -36.51 70.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.544 HD22 HG23 ' A' ' 29' ' ' THR . 18.8 tp -65.49 -55.82 15.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 8.3 ttm180 -50.44 -46.45 56.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -60.68 -25.63 66.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.68 -37.47 16.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.421 ' HB2' HD13 ' A' ' 72' ' ' LEU . 3.4 mt -74.52 -3.78 32.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 69' ' ' GLY . 0.3 OUTLIER -68.28 -37.68 80.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.88 -6.96 57.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.626 ' CB ' HD21 ' A' ' 24' ' ' LEU . . . -87.62 -11.44 48.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.753 HG22 HD11 ' A' ' 94' ' ' LEU . 18.7 p -142.07 -50.43 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.401 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 122.38 -13.06 8.92 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.557 1.16 . . . . 0.0 110.956 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.465 HD23 ' HB ' ' A' ' 68' ' ' THR . 0.6 OUTLIER -98.78 -176.59 3.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.245 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.462 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -98.69 4.7 47.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.888 ' HG ' HD21 ' A' ' 90' ' ' LEU . 0.2 OUTLIER 54.05 167.26 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.552 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.0 142.89 28.39 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.2 p -64.45 -24.93 67.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 79' ' ' ASP . 58.1 p -90.85 2.97 55.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.395 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.822 HD13 ' CD2' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -40.47 -64.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.728 HG12 ' O ' ' A' ' 77' ' ' VAL . 74.2 t -87.45 25.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.1 OUTLIER -138.52 8.25 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.4 OUTLIER -152.15 20.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.658 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -127.82 131.75 23.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.6 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -39.72 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.44 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 0.1 OUTLIER -148.6 -174.01 4.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.461 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . . . -70.54 -44.24 67.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.675 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.9 OUTLIER -38.15 -61.34 0.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.022 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -53.11 -56.12 18.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.658 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 45.0 t -42.11 -39.2 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 84' ' ' SER . . . -53.41 -47.87 69.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -65.35 -58.31 9.74 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.552 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.8 OUTLIER -42.0 -32.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 110.964 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.888 HD21 ' HG ' ' A' ' 72' ' ' LEU . 6.0 mt -83.86 -54.23 5.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.492 ' OD2' ' CG ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -48.43 -49.34 35.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.36 -38.49 68.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.38 -26.02 62.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.753 HD11 HG22 ' A' ' 68' ' ' THR . 10.9 mt -86.43 -25.03 25.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m 70.69 61.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 0.798 . . . . 0.0 109.996 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -125.0 29.3 6.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.638 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.458 ' HE3' ' CB ' ' A' ' 7' ' ' ASP . 43.9 mmm -89.07 44.25 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.2 mt -85.66 -55.0 4.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.369 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.48 -57.96 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.53 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 15.4 t70 -41.11 -41.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -52.57 22.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' GLY . 6.1 mt -50.48 -22.95 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 7' ' ' ASP . . . -66.41 65.68 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 136.28 -8.73 4.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.049 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.451 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 17.6 mt 39.86 67.89 2.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -168.47 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.466 1.772 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.863 HH21 HH21 ' A' ' 17' ' ' ARG . 0.0 OUTLIER -51.11 -39.12 55.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.03 -72.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' HG3' ' CD2' ' A' ' 12' ' ' LEU . 5.8 tm-20 -51.29 -52.03 48.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.863 HH21 HH21 ' A' ' 14' ' ' ARG . 0.2 OUTLIER -48.61 -43.58 36.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.261 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.1 m -73.7 -38.32 64.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.5 -22.1 63.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' GLU . 3.5 tt0 -84.27 -45.92 12.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.447 ' O ' HG12 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -55.27 -57.61 11.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.568 ' CG2' ' HB2' ' A' ' 87' ' ' ALA . 2.9 t -57.04 -46.71 84.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -31.44 71.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.747 ' CD1' ' HB2' ' A' ' 67' ' ' ALA . 0.7 OUTLIER -77.57 -68.57 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.566 HG21 ' CG1' ' A' ' 86' ' ' VAL . 13.5 p -37.76 -54.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.682 HH22 HD11 ' A' ' 50' ' ' LEU . 4.3 tpt85 -54.99 -71.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.1 m -42.15 -40.61 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.407 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.926 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.2 t -62.89 -42.62 99.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.064 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.574 HG23 ' CE2' ' A' ' 52' ' ' PHE . 98.4 m -60.2 -69.5 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.372 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.424 ' HA ' HD23 ' A' ' 33' ' ' LEU . . . -49.49 -25.61 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 28' ' ' SER . 1.2 m -71.81 -33.35 68.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.926 HG23 ' O ' ' A' ' 28' ' ' SER . 11.3 t -70.62 -18.72 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.038 HD11 ' O ' ' A' ' 50' ' ' LEU . 4.4 mm? -74.27 -35.77 63.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.15 28.56 4.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -138.66 172.65 12.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.419 0.717 . . . . 0.0 109.602 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -140.6 77.73 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.63 85.71 2.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.406 ' C ' ' N ' ' A' ' 40' ' ' ALA . 18.2 Cg_endo -75.07 -19.57 17.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.44 1.758 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -48.13 -24.12 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 38' ' ' PRO . . . -101.23 47.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.525 HG11 ' CG ' ' A' ' 26' ' ' ARG . 74.0 t -136.98 146.14 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.68 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -118.67 -8.38 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 84.34 -50.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.474 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 19.5 p -89.65 40.36 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.393 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -95.3 145.68 29.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.384 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.496 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -74.96 101.52 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.936 ' HA ' HD12 ' A' ' 50' ' ' LEU . 9.6 p90 -47.16 -33.98 5.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.097 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -54.0 -23.52 13.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -89.64 -21.54 22.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.038 ' O ' HD11 ' A' ' 33' ' ' LEU . 17.7 mt -72.9 -4.79 34.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.35 60.79 3.64 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.574 ' CE2' HG23 ' A' ' 29' ' ' THR . 0.8 OUTLIER -115.51 129.08 56.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 0.801 . . . . 0.0 110.992 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 54' ' ' SER . 64.0 m-20 -133.75 174.17 10.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 53' ' ' ASP . 33.6 m -35.29 -35.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -69.42 -69.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.78 -41.26 70.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.644 ' HB1' ' CG1' ' A' ' 77' ' ' VAL . . . -59.92 -30.02 68.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.5 t -80.34 -50.38 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -60.24 -14.91 20.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.25 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.879 HD12 HG21 ' A' ' 32' ' ' VAL . 4.6 tp -86.87 -56.02 3.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.459 ' NH1' ' O ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -47.17 -42.16 19.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -67.86 -31.41 71.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.085 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.4 tt -81.67 -27.18 34.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -69.64 -28.38 65.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -57.38 -20.1 27.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.24 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.33 -20.57 23.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.747 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . . . -81.96 -29.44 32.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.827 HG22 HD11 ' A' ' 94' ' ' LEU . 1.1 p -116.27 -70.64 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.56 -0.96 10.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.457 HD11 ' HG2' ' A' ' 93' ' ' GLU . 3.4 pp -117.11 -174.47 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.1 103.49 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.652 HD11 ' HG ' ' A' ' 90' ' ' LEU . 29.9 mt -89.75 161.54 38.57 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.769 ' O ' HD23 ' A' ' 76' ' ' LEU . 18.3 Cg_endo -74.99 130.96 13.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.462 1.77 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.9 p -73.14 -10.83 60.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.023 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 79' ' ' ASP . 45.0 p -90.13 -7.37 53.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.406 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.769 HD23 ' O ' ' A' ' 73' ' ' PRO . 2.5 pp -57.19 -45.59 83.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.811 HG21 HD22 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -80.64 5.31 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -119.02 -13.71 9.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 75' ' ' THR . 13.8 t70 -114.66 -24.82 8.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.644 ' CE1' ' CG2' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -89.54 125.92 59.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.562 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -42.28 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.474 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -130.2 162.58 28.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -64.17 -40.11 95.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.01 -29.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -80.25 -50.86 9.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.644 ' CG2' ' CE1' ' A' ' 80' ' ' HIS . 79.5 t -42.54 -49.22 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.568 ' HB2' ' CG2' ' A' ' 22' ' ' VAL . . . -40.73 -57.0 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.24 -57.44 19.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.145 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.21 -33.52 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.652 ' HG ' HD11 ' A' ' 72' ' ' LEU . 9.4 mp -84.32 -50.51 7.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -52.85 -49.76 65.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.1 -27.56 69.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.565 ' OE1' HD23 ' A' ' 72' ' ' LEU . 2.9 tt0 -81.96 -23.92 35.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.827 HD11 HG22 ' A' ' 68' ' ' THR . 9.9 mt -87.98 -24.9 23.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.9 m -49.1 160.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 110.036 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -42.01 152.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.621 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.88 52.23 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.629 HD12 ' H ' ' A' ' 6' ' ' ARG . 0.9 OUTLIER -61.54 -144.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.629 ' H ' HD12 ' A' ' 5' ' ' LEU . 1.5 mpt_? -90.34 26.1 2.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.414 ' O ' ' CD ' ' A' ' 13' ' ' PRO . 2.2 m-20 -89.87 1.64 55.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -85.42 -59.42 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 11' ' ' GLY . 13.9 mt -51.67 -22.06 3.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.82 60.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 48.39 21.09 1.8 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.49 1.118 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mp 46.74 86.5 0.14 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.753 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.414 ' CD ' ' O ' ' A' ' 7' ' ' ASP . 18.3 Cg_endo -74.99 -168.87 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.479 1.779 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.56 -38.68 55.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.6 -70.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' GLU . 25.0 tp10 -43.24 -43.54 4.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.575 HH21 HD11 ' A' ' 21' ' ' LEU . 7.7 tpt180 -56.58 -55.41 34.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.402 ' OG1' ' CG ' ' A' ' 91' ' ' ASP . 18.7 m -55.76 -43.94 77.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.362 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.94 -16.92 61.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' GLU . 2.6 tt0 -85.55 -36.77 20.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.575 HD11 HH21 ' A' ' 17' ' ' ARG . 0.4 OUTLIER -75.72 -39.61 57.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.658 HG21 ' HA ' ' A' ' 84' ' ' SER . 0.3 OUTLIER -62.87 -43.81 99.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -42.81 76.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 tt -74.84 -39.45 61.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.504 HG11 ' CG1' ' A' ' 86' ' ' VAL . 3.4 t -62.48 -23.3 31.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.76 -47.11 15.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.1 m -68.82 -34.93 76.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.454 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.998 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -67.28 -53.83 26.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.018 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.6 m -48.75 -61.43 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.415 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.97 -36.94 68.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.8 m -65.39 -38.08 88.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.417 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.998 HG23 ' O ' ' A' ' 28' ' ' SER . 23.9 t -61.54 -41.83 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.043 HD11 HD13 ' A' ' 50' ' ' LEU . 14.6 mt -68.57 -22.41 64.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.17 42.37 3.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -139.42 125.98 20.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.63 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -102.29 64.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -153.86 93.85 2.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -22.46 14.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.777 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -17.52 62.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.19 30.34 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.3 p -171.23 151.76 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -116.1 177.45 4.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.01 -23.45 33.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 p -104.85 32.18 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.763 HG23 ' HD2' ' A' ' 46' ' ' PRO . 2.0 m -96.2 147.07 32.4 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.763 ' HD2' HG23 ' A' ' 45' ' ' THR . 18.2 Cg_endo -75.01 131.74 14.61 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.46 1.768 . . . . 0.0 110.956 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.636 ' CD1' ' N ' ' A' ' 48' ' ' LYS . 22.0 p90 -69.53 -47.35 64.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.636 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 9.2 tttt -57.91 -16.77 13.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.461 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . 5.3 tp10 -82.24 -38.17 24.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.339 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.043 HD13 HD11 ' A' ' 33' ' ' LEU . 4.6 pp -89.61 -11.65 42.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.624 ' O ' HD21 ' A' ' 33' ' ' LEU . . . 92.13 118.12 2.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.822 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -178.86 125.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 110.996 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 55' ' ' LEU . 15.0 m-20 -150.88 -177.01 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.634 ' O ' HG23 ' A' ' 58' ' ' VAL . 75.7 m -36.85 -32.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.049 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -71.05 -67.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.822 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -56.4 -41.78 76.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.49 ' HB2' ' HB ' ' A' ' 77' ' ' VAL . . . -61.72 -34.63 76.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 54' ' ' SER . 1.7 t -67.05 -52.21 46.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -28.71 66.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.535 ' HB2' HG21 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -77.44 -53.74 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.455 ' HD3' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -48.86 -35.62 15.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -58.97 -27.66 65.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.1 tt -90.26 -45.69 8.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.478 HD13 HD11 ' A' ' 90' ' ' LEU . 9.0 mt -48.81 -24.59 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -55.22 -27.78 48.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.8 -22.74 36.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.24 -26.24 30.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.669 HG21 HD11 ' A' ' 72' ' ' LEU . 8.1 p -123.89 -69.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.386 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.78 16.48 33.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.683 HD21 HD23 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -128.73 -177.47 4.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.93 94.71 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.669 HD11 HG21 ' A' ' 68' ' ' THR . 14.5 mt -81.93 160.99 62.22 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.778 ' O ' HD23 ' A' ' 76' ' ' LEU . 18.3 Cg_endo -74.95 124.14 8.43 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.483 1.781 . . . . 0.0 111.053 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.5 p -62.27 -13.43 28.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 78' ' ' PHE . 52.5 p -90.08 -9.38 48.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.778 HD23 ' O ' ' A' ' 73' ' ' PRO . 2.2 pp -45.56 -42.42 10.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.767 HG12 ' O ' ' A' ' 77' ' ' VAL . 78.1 t -89.58 39.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -153.61 -42.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.02 -11.95 48.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 1.025 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -97.39 111.98 59.86 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.598 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.454 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.02 -12.53 21.48 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.527 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 14.5 m-80 -163.47 160.58 23.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -51.99 -53.33 42.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.658 ' HA ' HG21 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -42.0 -27.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.009 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 82' ' ' ASN . . . -81.26 -47.14 13.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 1.025 HG23 ' CG ' ' A' ' 80' ' ' HIS . 1.0 OUTLIER -54.99 -52.08 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.59 ' HB2' HG23 ' A' ' 22' ' ' VAL . . . -42.7 -57.7 2.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.36 -59.51 8.27 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.04 -32.51 9.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.617 HD22 HD22 ' A' ' 72' ' ' LEU . 5.8 mt -80.19 -38.59 30.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.402 ' CG ' ' OG1' ' A' ' 18' ' ' THR . 4.8 t70 -65.85 -45.23 82.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.48 -36.0 81.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.67 -23.0 49.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.683 HD23 HD21 ' A' ' 70' ' ' LEU . 32.7 mt -82.71 -28.49 30.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.39 -72.65 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 0.798 . . . . 0.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.405 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER 173.62 -61.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.579 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.3 mmt -62.43 94.1 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 3' ' ' HIS . 1.3 mp -89.65 -52.87 4.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 9' ' ' LEU . 3.6 mmt85 -41.07 -54.62 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.514 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -42.45 -47.52 5.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.8 -41.66 57.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 6' ' ' ARG . 67.2 mt -54.02 -21.19 7.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 7' ' ' ASP . . . -84.18 18.2 2.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 12' ' ' LEU . . . -146.25 17.83 1.71 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.609 HD22 ' N ' ' A' ' 12' ' ' LEU . 1.6 mm? 39.16 71.67 1.1 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 178.24 7.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.54 1.81 . . . . 0.0 110.978 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -54.88 -45.71 74.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.69 -68.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' GLU . 30.3 tt0 -51.06 -43.66 61.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.0 tpp85 -56.67 -54.79 42.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.649 ' O ' HG23 ' A' ' 22' ' ' VAL . 19.8 m -64.62 -45.98 84.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.16 -20.97 66.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' GLU . 2.9 tt0 -83.61 -58.17 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.354 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -55.2 -38.45 68.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 18' ' ' THR . 8.0 t -52.87 -65.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 mtm105 -45.17 -42.54 9.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tt -67.82 -41.23 83.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 21' ' ' LEU . 37.9 t -63.39 -55.99 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.405 ' HD3' ' N ' ' A' ' 43' ' ' ALA . 23.9 mtm180 -45.16 -53.77 7.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.9 m -68.87 -49.36 58.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.39 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.76 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.8 m -48.89 -54.28 16.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.05 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.788 HG21 ' CZ ' ' A' ' 47' ' ' PHE . 2.5 m -56.6 -59.0 5.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.74 -37.95 60.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.9 m -62.1 -40.75 96.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.38 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 28' ' ' SER . 62.7 t -55.51 -20.69 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.696 ' CD2' HD11 ' A' ' 50' ' ' LEU . 4.3 mm? -99.16 29.93 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.56 49.21 11.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -136.63 134.67 37.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 109.614 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.61 73.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.71 120.51 0.31 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.603 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.4 Cg_endo -74.98 -15.32 20.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.525 1.803 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -50.39 -22.8 2.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.64 34.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 38' ' ' PRO . 4.7 p -174.58 141.91 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.649 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -128.81 20.81 5.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 81.04 -52.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.6 p -93.94 42.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.19 144.94 29.61 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 102.5 1.6 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.498 1.789 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.788 ' CZ ' HG21 ' A' ' 29' ' ' THR . 3.2 m-85 -46.85 -48.83 20.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -51.98 7.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.59 -34.08 77.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.802 ' O ' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -64.33 -30.4 71.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.406 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 98.45 105.39 2.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.541 ' CD1' HD21 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -156.95 136.35 12.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.983 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.772 ' H ' ' HB3' ' A' ' 56' ' ' ALA . 4.8 m-20 -134.79 170.17 16.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 53' ' ' ASP . 3.3 m -38.04 -30.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.036 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -78.6 -56.0 4.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.772 ' HB3' ' H ' ' A' ' 53' ' ' ASP . . . -62.17 -44.96 95.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.445 ' HB2' HG11 ' A' ' 77' ' ' VAL . . . -57.95 -35.86 71.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.401 ' O ' ' CG ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -68.83 -51.75 41.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.675 ' HB3' HG13 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -48.24 -43.25 32.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.673 HD22 HG23 ' A' ' 29' ' ' THR . 56.5 tp -63.14 -57.29 11.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.403 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -49.3 -38.72 28.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.482 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 2.7 m120 -68.27 -47.98 66.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -59.33 5.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 4.0 mt -52.21 -21.57 3.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 62' ' ' ASN . 8.3 t-20 -55.24 -28.6 54.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.44 11.6 21.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.04 3.67 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 1.075 HG21 HD21 ' A' ' 72' ' ' LEU . 32.4 p -133.88 -62.8 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.19 -5.06 10.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.473 HD11 ' OE2' ' A' ' 93' ' ' GLU . 0.4 OUTLIER -118.88 -170.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.747 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -92.45 4.47 53.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 1.075 HD21 HG21 ' A' ' 68' ' ' THR . 85.1 mt 56.32 158.16 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.94 12.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.1 p -59.22 -17.13 25.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 79' ' ' ASP . 67.8 p -90.43 -5.79 55.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.722 ' CD2' HG23 ' A' ' 77' ' ' VAL . 7.3 tt -45.89 -58.13 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 77' ' ' VAL . 44.9 t -90.33 23.28 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.17 7.97 2.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -151.95 20.35 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.657 ' CE1' ' CE2' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -128.9 129.2 23.44 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.608 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.472 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -75.01 -46.75 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.482 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 31.2 m-20 -136.15 -174.67 3.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.462 ' HB1' HG12 ' A' ' 25' ' ' VAL . . . -70.67 -45.17 65.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.57 -26.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.472 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -84.9 -43.81 13.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.485 HG23 ' CG ' ' A' ' 80' ' ' HIS . 20.5 t -50.1 -49.96 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -48.78 -52.44 23.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.26 -58.27 11.28 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -37.56 44.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.053 HD22 HD22 ' A' ' 72' ' ' LEU . 27.9 mt -76.39 -37.08 57.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -68.1 -46.24 71.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.17 77.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.473 ' OE2' HD11 ' A' ' 70' ' ' LEU . 1.6 tt0 -78.3 -21.89 48.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.405 HD21 ' HA ' ' A' ' 68' ' ' THR . 15.8 mt -83.06 -28.87 29.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 3' ' ' HIS . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m 69.08 -67.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.982 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 1' ' ' GLY . 1.0 OUTLIER 72.31 -70.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.634 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.1 mmt -72.16 60.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.8 mt -87.38 -54.09 4.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -22.62 2.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.502 ' O ' ' CD ' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -89.94 42.53 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.445 ' CG ' ' HG3' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -87.92 -58.41 2.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.9 OUTLIER -57.13 -17.72 12.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.0 61.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 50.56 20.22 3.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 mp 50.17 91.67 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.512 0.772 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.502 ' CD ' ' O ' ' A' ' 7' ' ' ASP . 18.4 Cg_endo -75.02 166.94 28.13 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.781 . . . . 0.0 111.066 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' PRO . 17.2 ttt180 -38.88 -51.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.1 -45.26 3.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' PRO . 4.0 mm-40 -75.75 -38.53 58.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.514 ' NH2' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -61.57 -34.12 75.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.4 m -85.17 -43.67 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.9 -32.55 73.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 6.3 tt0 -68.55 -54.41 16.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.9 ' HA ' HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -58.73 -30.09 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.613 HG12 ' N ' ' A' ' 23' ' ' ARG . 2.7 t -59.21 -77.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.613 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -45.34 -26.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.941 HD21 ' HB1' ' A' ' 67' ' ' ALA . 0.1 OUTLIER -75.18 -54.45 7.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 21' ' ' LEU . 12.8 t -50.61 -29.15 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -65.14 -47.06 78.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.5 m -69.38 -48.3 61.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.73 ' O ' HG23 ' A' ' 32' ' ' VAL . 46.7 p -50.7 -46.0 58.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.019 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.554 HG22 HD13 ' A' ' 50' ' ' LEU . 27.1 m -63.47 -61.81 2.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.445 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.939 ' HB2' HG21 ' A' ' 41' ' ' VAL . . . -48.72 -32.67 8.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.9 m -67.2 -34.43 77.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.415 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.822 HG13 ' HB3' ' A' ' 59' ' ' ARG . 60.2 t -64.45 -34.18 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.358 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.715 HD21 ' HB3' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -78.15 -10.92 59.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.24 23.93 42.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' ASP . 22.9 m170 -87.43 -6.96 58.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.64 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' HIS . 11.4 m-20 38.96 76.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -172.64 83.75 0.43 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -19.85 17.4 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 110.954 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -74.13 -15.31 61.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.6 17.7 17.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.939 HG21 ' HB2' ' A' ' 30' ' ' ALA . 87.4 t -123.59 157.86 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.52 -177.76 4.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.441 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . . . -98.05 -26.3 14.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.8 p -115.91 45.31 1.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 110.398 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.786 HG23 ' HD2' ' A' ' 46' ' ' PRO . 2.0 m -110.8 147.16 35.91 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 0.0 110.401 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.786 ' HD2' HG23 ' A' ' 45' ' ' THR . 18.3 Cg_endo -74.99 98.2 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.458 1.767 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.507 ' HA ' HD12 ' A' ' 50' ' ' LEU . 5.2 p90 -48.4 -35.16 12.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.162 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.444 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.5 ttmt -49.33 -34.12 14.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -71.16 -33.35 69.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.715 ' HB3' HD21 ' A' ' 33' ' ' LEU . 53.4 mt -53.89 -36.13 62.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.352 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.04 58.34 0.42 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.429 1.081 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.439 ' HE2' HD22 ' A' ' 60' ' ' LEU . 2.4 m-30 -112.14 153.72 26.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -158.23 -76.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 58' ' ' VAL . 14.8 m -132.8 -61.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -55.79 29.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.535 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -65.06 -27.63 68.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.626 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -75.52 -28.58 59.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' SER . 3.6 t -89.21 -26.37 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.822 ' HB3' HG13 ' A' ' 32' ' ' VAL . 5.2 mtt180 -64.09 -42.59 96.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.638 ' HB2' HG21 ' A' ' 32' ' ' VAL . 48.5 tp -66.65 -59.08 3.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 5.9 tmm_? -50.09 -25.75 3.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -77.24 -45.61 25.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.522 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -71.79 -46.71 57.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.664 HD21 ' OG ' ' A' ' 28' ' ' SER . 8.5 mt -57.33 -21.29 34.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -54.81 -18.92 5.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.46 -18.51 21.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.941 ' HB1' HD21 ' A' ' 24' ' ' LEU . . . -94.94 7.2 46.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.504 ' HA ' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -143.02 -71.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.423 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.89 -14.33 5.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.777 ' N ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -108.46 -170.99 1.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 0.754 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 14.0 mtt180 -98.25 3.41 48.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.847 HD21 ' HG ' ' A' ' 90' ' ' LEU . 12.5 mt 53.83 163.42 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.87 15.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.9 p -54.85 -23.16 17.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 78' ' ' PHE . 51.9 m -81.13 -11.77 59.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.418 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.758 ' CD1' HD22 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -39.85 -55.32 2.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.297 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.77 HG12 ' O ' ' A' ' 77' ' ' VAL . 54.2 t -84.7 44.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 75' ' ' THR . 2.4 t80 -154.21 -42.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.438 ' HB2' HG22 ' A' ' 75' ' ' THR . 1.3 t70 -94.03 -11.05 31.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.703 ' CG ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -98.98 109.67 54.81 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.575 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -44.37 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.474 1.776 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.572 ' O ' HG23 ' A' ' 86' ' ' VAL . 9.2 m-80 -133.0 -177.11 4.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 43' ' ' ALA . . . -70.04 -46.59 64.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.93 -38.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.66 -43.89 29.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.703 HG22 ' CG ' ' A' ' 80' ' ' HIS . 79.1 t -51.67 -44.97 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.595 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -46.63 -57.55 4.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -55.78 -65.3 3.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER -37.67 -38.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.989 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.847 ' HG ' HD21 ' A' ' 72' ' ' LEU . 6.3 mp -75.68 -50.37 15.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 88' ' ' GLY . 6.2 t0 -52.17 -43.71 64.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.38 83.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.99 -28.34 66.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.514 HD22 ' NH2' ' A' ' 17' ' ' ARG . 2.3 mt -90.15 -21.34 22.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.8 m -63.93 175.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -115.62 -69.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.651 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.68 98.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.909 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -81.62 -59.07 2.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.56 -47.23 28.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.92 -27.07 67.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 5' ' ' LEU . 4.0 ttp180 -70.84 -57.64 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.25 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.909 HD12 ' O ' ' A' ' 5' ' ' LEU . 1.3 mp -68.95 -21.88 64.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.85 72.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 153.66 -20.97 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.566 HD12 ' HD2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -175.59 152.97 1.4 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.439 0.729 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.566 ' HD2' HD12 ' A' ' 12' ' ' LEU . 18.3 Cg_endo -74.97 114.37 4.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -18.32 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.84 23.85 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -129.77 -43.92 1.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.615 ' NE ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -74.08 -33.53 63.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.408 ' OG1' ' OD1' ' A' ' 91' ' ' ASP . 26.3 m -86.88 -51.66 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.47 -17.23 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 2.0 tt0 -86.28 -63.39 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.808 HD21 ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -56.31 -34.85 66.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.541 HG22 ' HB2' ' A' ' 87' ' ' ALA . 18.2 t -64.93 -60.66 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -53.44 -19.83 4.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.344 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.607 HD21 ' CB ' ' A' ' 67' ' ' ALA . 2.8 tp -90.04 -53.73 4.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.85 HG21 ' CG1' ' A' ' 86' ' ' VAL . 0.3 OUTLIER -52.78 -38.1 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -65.59 -45.07 84.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.475 ' O ' ' CB ' ' A' ' 31' ' ' THR . 92.5 m -69.86 -35.06 74.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.771 ' O ' HG12 ' A' ' 32' ' ' VAL . 66.8 m -68.05 -49.67 59.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.842 ' O ' HD12 ' A' ' 33' ' ' LEU . 23.6 m -61.19 -35.48 77.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.417 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 35' ' ' HIS . . . -80.61 -36.49 32.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.475 ' CB ' ' O ' ' A' ' 27' ' ' THR . 3.2 m -68.16 -53.93 21.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.368 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.771 HG12 ' O ' ' A' ' 28' ' ' SER . 7.7 p -48.32 -36.63 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.842 HD12 ' O ' ' A' ' 29' ' ' THR . 0.7 OUTLIER -90.92 34.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' THR . . . 43.18 55.99 4.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.505 ' CB ' ' O ' ' A' ' 30' ' ' ALA . 0.9 OUTLIER -133.21 128.23 35.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 0.791 . . . . 0.0 109.566 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -122.34 26.17 8.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.26 78.88 44.27 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.427 ' HA ' ' HB ' ' A' ' 41' ' ' VAL . 18.2 Cg_endo -74.95 -18.77 18.59 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.08 -29.69 67.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.35 14.78 25.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.427 ' HB ' ' HA ' ' A' ' 38' ' ' PRO . 18.3 t -117.79 149.49 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -125.08 169.77 11.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.403 ' O ' ' OG ' ' A' ' 84' ' ' SER . . . -77.3 -34.28 55.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.472 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 10.9 p -99.71 36.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.61 151.05 49.84 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.438 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 124.94 8.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 80' ' ' HIS . 18.1 p90 -78.59 -44.5 23.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.591 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 26.3 tttt -60.51 -16.51 37.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -75.51 -32.91 60.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.577 HD13 HG22 ' A' ' 29' ' ' THR . 1.6 mt -69.6 -28.04 65.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.96 42.71 0.7 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.767 ' CZ ' HD13 ' A' ' 60' ' ' LEU . 1.6 m-85 -106.0 144.5 32.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -160.73 -78.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.524 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -116.85 -80.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.031 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.84 -66.1 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.441 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -55.77 -33.92 64.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.362 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 54' ' ' SER . . . -64.79 -32.25 73.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 54' ' ' SER . 0.4 OUTLIER -81.38 -39.08 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -57.21 -37.1 71.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.767 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 6.2 tp -64.07 -65.55 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.429 ' CD ' ' HB2' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -39.94 -41.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 58' ' ' VAL . 24.2 m120 -58.69 -48.43 81.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 60' ' ' LEU . 2.0 tt -73.98 -46.77 41.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.785 HD12 HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -46.62 -33.39 4.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' GLY . 29.8 m120 -52.12 -32.26 34.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.09 -23.88 47.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.607 ' CB ' HD21 ' A' ' 24' ' ' LEU . . . -80.7 -19.33 45.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.859 HG21 HD12 ' A' ' 90' ' ' LEU . 34.7 p -143.01 -68.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 110.4 7.59 26.11 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.834 HD22 ' HG2' ' A' ' 93' ' ' GLU . 4.6 pp -96.24 178.44 5.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.767 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -87.67 79.71 8.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 1.044 HD23 HD13 ' A' ' 76' ' ' LEU . 1.5 mp -50.77 152.69 3.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.577 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -74.99 147.28 33.75 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.477 1.777 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -72.85 -20.94 61.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 78' ' ' PHE . 50.0 p -86.38 -7.42 58.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.044 HD13 HD23 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -40.0 -58.8 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.959 HG23 HD23 ' A' ' 76' ' ' LEU . 70.0 t -83.38 45.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 75' ' ' THR . 2.0 t80 -153.75 -41.99 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.85 -16.0 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.885 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -93.32 114.58 63.23 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.62 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.2 2.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.472 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -141.12 177.58 7.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.788 ' HB1' ' CG1' ' A' ' 25' ' ' VAL . . . -59.99 -43.17 95.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.649 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -38.35 -66.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -47.36 -54.96 9.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.885 HG23 ' CG ' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -45.75 -38.78 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 84' ' ' SER . . . -59.21 -43.94 92.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -64.38 -63.34 4.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.577 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -39.44 -35.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 0.721 . . . . 0.0 110.978 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.859 HD12 HG21 ' A' ' 68' ' ' THR . 4.6 mm? -81.77 -52.47 7.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.408 ' OD1' ' OG1' ' A' ' 18' ' ' THR . 1.7 t70 -52.94 -49.25 66.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.57 -38.04 71.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.354 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.834 ' HG2' HD22 ' A' ' 70' ' ' LEU . 0.7 OUTLIER -79.49 -20.9 46.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.615 HD13 ' NE ' ' A' ' 17' ' ' ARG . 40.8 mt -80.61 -30.27 36.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.534 1.146 . . . . 0.0 111.025 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 m -82.35 111.68 18.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 0.0 109.978 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.2 m80 41.2 -156.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.607 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 11.8 mmt -88.67 53.94 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.5 tp -71.49 -40.66 70.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.66 -47.5 40.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.54 -35.73 68.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 12' ' ' LEU . 5.4 ttm-85 -79.39 -32.29 43.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.03 -52.48 65.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.23 18.39 6.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.19 19.79 2.11 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.589 1.181 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 8' ' ' ARG . 16.4 mt -41.56 101.37 0.24 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 176.96 9.21 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.92 -57.61 11.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 110.33 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.03 -64.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 20' ' ' GLU . 49.1 mm-40 -42.81 -48.99 5.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -42.55 97.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.472 ' O ' HG23 ' A' ' 22' ' ' VAL . 16.5 m -64.43 -42.25 96.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.91 -27.64 54.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.5 tt0 -70.43 -49.32 50.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.732 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -65.41 -43.7 89.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 18' ' ' THR . 2.7 t -50.53 -60.89 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -38.94 44.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.402 ' C ' ' N ' ' A' ' 26' ' ' ARG . 7.9 tt -68.25 -56.68 7.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 21' ' ' LEU . 67.4 t -45.49 -28.2 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.452 ' NH2' ' HA ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -70.43 -74.53 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.6 p -49.05 -58.2 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.882 ' O ' HG23 ' A' ' 32' ' ' VAL . 37.3 p -43.7 -52.21 6.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.658 HG23 ' CE2' ' A' ' 52' ' ' PHE . 3.3 m -53.61 -70.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.358 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.33 -38.75 9.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 28' ' ' SER . 2.1 m -61.31 -38.61 87.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.364 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 28' ' ' SER . 93.3 t -59.81 -38.38 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 50' ' ' LEU . 21.4 mt -66.47 -23.1 66.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.72 29.97 7.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -124.37 171.65 9.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 109.568 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -142.2 69.52 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -163.22 99.7 1.01 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -13.93 21.35 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.547 1.814 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -54.2 -24.21 17.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.472 ' C ' HG23 ' A' ' 41' ' ' VAL . . . -91.9 38.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.621 HG12 ' H ' ' A' ' 43' ' ' ALA . 93.7 t -155.61 135.98 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.545 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -118.92 26.74 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.621 ' H ' HG12 ' A' ' 41' ' ' VAL . . . 73.93 -57.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.49 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 1.4 m -96.08 42.17 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.94 159.31 54.75 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 106.4 2.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.494 1.786 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.7 ' HA ' HD12 ' A' ' 50' ' ' LEU . 7.3 p90 -56.9 -43.16 81.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.568 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 14.4 tttp -49.98 -36.63 28.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.32 -35.53 54.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.7 HD12 ' HA ' ' A' ' 47' ' ' PHE . 37.0 mt -52.74 -27.07 16.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.8 35.34 3.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.129 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.921 ' CE2' HD22 ' A' ' 60' ' ' LEU . 3.8 m-30 -111.42 139.15 47.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -157.25 -56.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 57' ' ' ALA . 73.2 m -142.99 -75.75 0.26 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.14 -55.63 3.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.837 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -59.1 -38.7 80.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.526 ' HB2' HG11 ' A' ' 77' ' ' VAL . . . -66.1 -29.68 70.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -76.76 -41.14 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.537 ' HB3' HG13 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -75.96 -31.81 59.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.921 HD22 ' CE2' ' A' ' 52' ' ' PHE . 5.6 tp -75.6 -28.08 58.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.936 ' NH2' HD13 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -74.07 -56.42 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -47.73 -27.97 2.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.345 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.2 OUTLIER -90.8 -60.68 1.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 68' ' ' THR . 8.7 mt -45.88 -30.68 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -60.13 -41.36 92.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -77.08 -2.86 36.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.728 ' O ' HD21 ' A' ' 21' ' ' LEU . . . -113.01 -4.35 13.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.977 HG21 ' CD1' ' A' ' 72' ' ' LEU . 20.0 p -118.35 -59.24 1.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.382 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.84 5.24 51.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.447 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -131.73 -169.36 2.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 0.758 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -112.2 79.06 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.977 ' CD1' HG21 ' A' ' 68' ' ' THR . 0.3 OUTLIER -50.03 166.85 0.26 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.624 ' O ' HD23 ' A' ' 76' ' ' LEU . 18.1 Cg_endo -75.04 125.69 9.46 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 97.7 p -53.89 -20.62 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.8 p -87.54 -5.5 58.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.889 HD21 ' NH1' ' A' ' 61' ' ' ARG . 2.3 pp -47.78 -42.98 27.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.755 HG12 ' O ' ' A' ' 77' ' ' VAL . 78.9 t -83.81 37.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -151.17 -40.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.4 -10.56 37.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.967 ' CD2' HG23 ' A' ' 86' ' ' VAL . 1.8 p-80 -90.61 121.58 68.12 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.585 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -22.67 14.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.768 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.49 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -161.83 167.98 23.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.676 ' HB1' HG12 ' A' ' 25' ' ' VAL . . . -56.58 -48.31 77.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.58 -27.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.454 ' N ' ' C ' ' A' ' 83' ' ' ALA . . . -79.09 -53.1 7.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.967 HG23 ' CD2' ' A' ' 80' ' ' HIS . 27.4 t -42.55 -51.53 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.625 ' HA ' HD21 ' A' ' 90' ' ' LEU . . . -57.35 -40.33 77.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -57.56 -51.11 59.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.538 ' CE2' ' HG3' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -55.88 -58.45 7.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 111.001 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.709 ' HB3' HD11 ' A' ' 72' ' ' LEU . 1.4 pp -54.58 -48.52 72.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.456 ' N ' HD12 ' A' ' 90' ' ' LEU . 19.7 t0 -42.4 -56.6 2.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.6 -38.23 59.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.2 mt-10 -73.06 -23.96 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.786 HD21 ' O ' ' A' ' 68' ' ' THR . 51.4 mt -89.5 -24.1 21.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.145 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 t -171.27 72.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 109.961 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.0 m80 52.53 -170.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.585 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -86.39 48.03 1.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.676 HD13 ' O ' ' A' ' 5' ' ' LEU . 1.7 tm? -49.84 -40.74 43.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.06 40.61 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -64.36 -47.54 78.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -60.34 -20.89 61.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 11' ' ' GLY . 3.1 mm? -90.71 24.69 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.99 78.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 160.99 -25.68 0.27 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.24 91.03 4.27 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 160.43 40.31 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -39.31 -33.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.78 -58.55 6.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -61.39 -51.84 67.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -51.4 -55.6 17.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 m -62.09 -43.0 99.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.364 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.24 -19.25 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLU . 3.0 tt0 -89.13 -46.53 8.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.578 HD11 HG23 ' A' ' 68' ' ' THR . 0.8 OUTLIER -62.33 -39.81 94.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.442 ' C ' ' N ' ' A' ' 24' ' ' LEU . 25.5 t -65.84 -70.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -38.61 -30.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.46 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -72.78 -58.15 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.971 HG23 HD21 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -57.03 -28.52 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.529 ' NH1' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -67.38 -67.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.502 HG22 ' OD1' ' A' ' 36' ' ' ASP . 1.2 p -55.4 -40.89 71.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 32' ' ' VAL . 56.6 m -64.74 -40.17 94.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.45 ' HA ' HD13 ' A' ' 60' ' ' LEU . 1.9 m -61.67 -71.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.455 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.794 ' HA ' HD23 ' A' ' 33' ' ' LEU . . . -48.04 -32.3 6.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 28' ' ' SER . 1.3 m -60.63 -32.41 71.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 28' ' ' SER . 54.4 t -68.43 -12.86 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.032 HD21 ' CD1' ' A' ' 50' ' ' LEU . 1.9 mm? -100.9 -17.75 16.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.7 -39.68 2.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -86.45 149.88 24.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.607 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.502 ' OD1' HG22 ' A' ' 27' ' ' THR . 61.1 t0 -109.01 -30.18 8.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -49.17 106.24 0.6 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -25.36 11.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.31 -30.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.3 49.71 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.087 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -178.04 157.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.437 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -124.03 165.83 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.87 -35.95 62.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.475 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 2.1 m -101.35 36.67 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.459 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -90.94 146.73 34.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.387 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 45' ' ' THR . 18.2 Cg_endo -75.0 111.59 3.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.967 ' HA ' HD23 ' A' ' 50' ' ' LEU . 31.8 p90 -56.81 -37.59 71.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.505 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -57.36 -19.56 23.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -94.87 -33.61 12.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.032 ' CD1' HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -64.23 -28.05 69.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.51 44.65 0.89 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.772 ' CE1' HD11 ' A' ' 50' ' ' LEU . 2.3 m-30 -118.32 140.73 49.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 0.747 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -159.99 -78.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 58' ' ' VAL . 50.4 m -123.03 -73.72 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -44.32 -56.56 4.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 52' ' ' PHE . . . -63.11 -34.32 77.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.49 -29.49 69.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.3 t -76.9 -50.96 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.72 -35.15 65.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.618 HD22 ' HE2' ' A' ' 52' ' ' PHE . 10.1 tp -73.14 -53.36 11.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -47.04 -30.34 2.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -76.14 -36.67 58.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -78.95 -52.88 7.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.971 HD21 HG23 ' A' ' 25' ' ' VAL . 4.0 mt -50.91 -37.4 43.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.514 ' N ' ' NH2' ' A' ' 61' ' ' ARG . 1.4 m-20 -57.73 -20.04 31.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.69 -19.13 21.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.439 ' CB ' ' HG ' ' A' ' 24' ' ' LEU . . . -68.0 -24.94 65.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 1.055 HG21 HD11 ' A' ' 90' ' ' LEU . 1.9 p -127.76 -42.89 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.398 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.07 8.14 48.38 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.486 ' C ' HD12 ' A' ' 70' ' ' LEU . 1.4 pp -112.29 174.56 5.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -94.32 104.64 16.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 1.073 HD11 HD13 ' A' ' 90' ' ' LEU . 11.3 mt -85.29 166.7 29.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 72' ' ' LEU . 18.3 Cg_endo -74.98 146.59 32.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.6 p -70.36 -21.99 62.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 78' ' ' PHE . 80.8 p -77.07 -12.53 59.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.694 HD21 ' CG2' ' A' ' 86' ' ' VAL . 6.9 tt -39.85 -50.48 2.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 77' ' ' VAL . 73.1 t -86.25 43.16 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.509 ' N ' ' O ' ' A' ' 75' ' ' THR . 6.9 t80 -147.6 -44.5 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -90.52 -10.87 41.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.573 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -98.2 112.64 62.56 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.576 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.448 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 18.3 Cg_endo -74.98 -31.35 6.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.475 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.4 OUTLIER -148.84 165.73 30.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 109.352 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.529 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . . . -53.43 -51.89 61.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -38.62 -32.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.442 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -86.66 -46.83 9.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.743 ' CG1' HG21 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -55.81 -42.58 70.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.418 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -49.95 -49.58 49.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -60.71 -67.77 1.98 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.7 OUTLIER -36.21 -33.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 111.03 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.073 HD13 HD11 ' A' ' 72' ' ' LEU . 2.1 tp -85.13 -50.92 7.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.841 ' HA ' HD23 ' A' ' 94' ' ' LEU . 4.4 t0 -58.83 -23.03 59.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -84.69 -32.48 23.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.32 -20.69 27.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.841 HD23 ' HA ' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -90.85 -27.14 19.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.363 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.2 OUTLIER 85.89 -74.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.976 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -163.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.59 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.29 30.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.722 HD22 ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -49.73 -22.8 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.638 ' N ' HD22 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -90.51 32.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -90.49 38.52 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.19 -26.7 20.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.234 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.6 OUTLIER -59.72 -20.53 57.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.26 70.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.655 ' C ' HD23 ' A' ' 12' ' ' LEU . . . 121.22 -12.83 9.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.433 1.083 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.702 HD12 ' HE ' ' A' ' 17' ' ' ARG . 0.6 OUTLIER 38.65 88.48 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 168.73 24.18 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 18' ' ' THR . 3.7 ttp180 -38.89 -33.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 18' ' ' THR . . . -55.76 -76.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.99 -43.31 19.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.702 ' HE ' HD12 ' A' ' 12' ' ' LEU . 9.7 tpp85 -62.61 -29.78 70.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 15' ' ' ALA . 19.3 m -81.65 -38.84 25.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.416 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.92 -39.7 61.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 24' ' ' LEU . 6.4 pt-20 -64.21 -44.82 90.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.718 HD12 HD12 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -56.1 -41.91 75.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.542 HG22 ' HB2' ' A' ' 87' ' ' ALA . 42.9 t -67.61 -74.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 ptt85 -40.72 -35.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.506 ' C ' HD23 ' A' ' 24' ' ' LEU . 7.0 tt -75.28 -52.38 11.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 21' ' ' LEU . 3.0 t -52.69 -39.79 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.469 ' CZ ' HG13 ' A' ' 41' ' ' VAL . 1.4 mtp-105 -59.16 -76.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' ARG . 40.5 p -35.69 -65.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' THR . 5.9 t -37.48 -65.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.983 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.1 m -41.79 -66.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.448 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.84 -29.3 18.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -71.5 -36.66 71.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.394 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.78 HG21 ' HB2' ' A' ' 60' ' ' LEU . 85.4 t -60.59 -32.11 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 50' ' ' LEU . 3.1 mm? -76.72 -4.11 41.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.16 18.71 49.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 36' ' ' ASP . 6.2 m-70 -91.94 -11.33 36.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.572 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 35' ' ' HIS . 3.6 m-20 38.22 53.13 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.01 111.49 2.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.973 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.2 Cg_endo -75.01 -17.19 19.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' PRO . 2.8 mttt -39.66 -29.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' PRO . . . -91.85 50.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.973 HG12 ' O ' ' A' ' 38' ' ' PRO . 3.3 p -172.22 147.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.696 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -154.06 22.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 83.78 -49.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.445 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 2.3 p -100.2 28.33 5.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.341 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.784 HG23 ' HD2' ' A' ' 46' ' ' PRO . 1.9 m -92.31 147.17 34.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.362 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.784 ' HD2' HG23 ' A' ' 45' ' ' THR . 18.4 Cg_endo -74.93 121.94 6.92 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.602 ' CD1' ' N ' ' A' ' 48' ' ' LYS . 21.5 p90 -72.94 -45.96 55.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.602 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -53.08 -22.57 6.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.23 -38.15 63.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 46' ' ' PRO . 3.5 mp -59.96 -31.55 69.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.49 55.44 0.36 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.58 ' HE2' HD22 ' A' ' 60' ' ' LEU . 1.4 m-30 -116.72 142.05 47.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 0.789 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.98 -75.3 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 58' ' ' VAL . 68.9 m -130.26 -64.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.042 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -55.66 23.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.522 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -70.83 -23.25 62.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.48 -29.88 59.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 54' ' ' SER . 17.2 t -90.08 -27.08 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.545 ' HB3' HG13 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -65.09 -28.73 69.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.258 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.78 ' HB2' HG21 ' A' ' 32' ' ' VAL . 1.5 tp -89.46 -35.88 15.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.505 ' C ' ' CD ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -68.84 -29.53 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.293 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.463 HD22 HG12 ' A' ' 58' ' ' VAL . 4.8 m-80 -80.7 -29.14 36.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 tt -84.04 -39.08 20.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 64' ' ' LEU . 10.0 mt -65.8 -13.2 59.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -58.76 -20.58 50.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.21 4.95 50.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -113.06 -13.02 13.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 1.037 HG21 HD21 ' A' ' 72' ' ' LEU . 6.8 p -123.8 -57.93 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 110.405 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 124.85 -14.68 7.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.88 -169.28 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 72' ' ' LEU . 1.6 ttt180 -90.16 4.35 50.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 1.037 HD21 HG21 ' A' ' 68' ' ' THR . 7.9 mt 54.5 163.84 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.563 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -75.0 144.61 30.43 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.781 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.4 p -75.55 -19.49 59.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.029 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 79' ' ' ASP . 10.9 p -89.8 -1.53 58.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.42 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.521 ' CD1' HD13 ' A' ' 72' ' ' LEU . 7.7 tt -47.54 -53.4 14.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.403 HG12 ' CE1' ' A' ' 47' ' ' PHE . 6.3 t -85.73 19.02 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -137.64 9.37 2.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.7 OUTLIER -137.42 -37.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.915 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -88.08 113.3 54.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.622 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -32.13 5.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 44' ' ' THR . 88.8 m-20 -141.0 145.22 35.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -39.29 -47.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.4 OUTLIER -37.82 -37.14 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.66 -50.35 12.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.915 HG23 ' CG ' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -48.01 -49.94 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.542 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -45.29 -57.16 4.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.51 -56.18 16.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.563 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 1.3 t80 -52.47 -33.55 45.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.718 HD12 HD12 ' A' ' 21' ' ' LEU . 4.0 mt -80.47 -39.9 27.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.2 -47.53 79.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.51 -31.03 69.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.406 ' CB ' ' O ' ' A' ' 89' ' ' PHE . 1.5 tt0 -77.32 -24.62 50.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.777 HD21 ' HA ' ' A' ' 68' ' ' THR . 10.0 mt -89.86 -23.87 21.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p -126.95 60.89 1.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.487 ' HB3' ' HE2' ' A' ' 4' ' ' MET . 0.2 OUTLIER -128.18 -53.69 1.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.547 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.487 ' HE2' ' HB3' ' A' ' 3' ' ' HIS . 0.6 OUTLIER -90.08 34.8 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 111.013 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.8 HD22 ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -55.29 -19.23 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.593 ' N ' HD13 ' A' ' 5' ' ' LEU . 6.5 mmt180 -61.14 -47.75 84.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.94 -46.82 9.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.88 -58.72 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.446 HD12 HD23 ' A' ' 5' ' ' LEU . 12.8 mt -56.54 -38.39 71.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.81 14.32 4.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -136.89 26.01 3.03 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.1 mt -123.28 76.21 52.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.45 0.735 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 166.05 30.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -37.18 5.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.58 -61.21 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.25 -56.19 3.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.423 HH21 ' HB2' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.26 -53.43 58.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -54.31 -42.78 70.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.1 -18.22 60.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.09 -43.29 18.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.09 -48.24 82.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.506 HG22 ' HB2' ' A' ' 87' ' ' ALA . 24.5 t -59.75 -62.29 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -39.73 -43.78 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.449 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -65.59 -62.46 1.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.828 HG22 HD21 ' A' ' 64' ' ' LEU . 47.9 t -42.15 -43.67 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -53.91 -63.95 0.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.443 ' O ' ' CB ' ' A' ' 31' ' ' THR . 2.1 p -62.47 -49.59 74.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -52.93 -45.46 67.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.597 HG22 HD13 ' A' ' 50' ' ' LEU . 18.0 m -61.37 -67.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.87 -36.98 40.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 27' ' ' THR . 1.7 m -53.3 -34.94 59.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 28' ' ' SER . 78.0 t -66.56 -12.49 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.799 HD11 ' HB2' ' A' ' 50' ' ' LEU . 13.3 mt -103.33 16.54 26.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.74 46.13 24.64 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -138.81 121.99 16.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 109.593 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.48 67.73 7.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -150.74 97.89 3.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -19.1 18.14 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.543 1.812 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.07 -2.81 46.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.33 -16.25 33.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.4 t -124.39 138.87 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -97.6 178.1 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.07 -28.15 21.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.452 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -101.91 8.74 41.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.817 HG23 ' H ' ' A' ' 47' ' ' PHE . 1.7 t -45.78 148.4 1.36 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.531 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.02 5.05 4.22 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.801 . . . . 0.0 111.039 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.817 ' H ' HG23 ' A' ' 45' ' ' THR . 0.3 OUTLIER 65.61 -56.26 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.592 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 1.8 mmtt -58.61 -15.45 11.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.493 ' CG ' ' HG2' ' A' ' 46' ' ' PRO . 2.9 mm-40 -73.96 -32.58 63.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.799 ' HB2' HD11 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -89.33 25.02 2.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 36.77 88.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.102 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.747 ' HE2' HD22 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -128.38 125.73 39.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 0.758 . . . . 0.0 110.992 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' LEU . 8.1 p30 -134.18 177.71 7.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.471 ' O ' HG23 ' A' ' 58' ' ' VAL . 58.3 m -38.54 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -73.28 -67.35 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.579 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -56.77 -40.31 75.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.927 ' HB2' HG11 ' A' ' 77' ' ' VAL . . . -61.34 -32.39 72.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 54' ' ' SER . 2.2 t -77.93 -40.17 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -69.95 -22.89 63.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.271 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.747 HD22 ' HE2' ' A' ' 52' ' ' PHE . 52.6 tp -71.25 -69.38 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -36.76 -54.9 0.9 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -45.21 -52.72 9.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.417 ' C ' ' N ' ' A' ' 65' ' ' ASN . 0.2 OUTLIER -69.37 -48.07 62.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.828 HD21 HG22 ' A' ' 25' ' ' VAL . 3.2 mt -47.63 -24.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 63' ' ' LEU . 2.6 t-20 -56.81 -25.52 55.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.25 -17.69 48.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.449 ' HB2' ' HG ' ' A' ' 24' ' ' LEU . . . -87.22 -26.18 23.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.487 HG21 HD21 ' A' ' 72' ' ' LEU . 39.0 p -120.67 -66.69 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.46 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 104.73 10.45 32.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.4 pp -124.39 -179.71 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 0.0 109.301 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -79.83 87.17 5.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.681 HD21 ' HG ' ' A' ' 90' ' ' LEU . 22.0 mt -65.88 161.58 52.98 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.894 ' O ' HD22 ' A' ' 76' ' ' LEU . 18.1 Cg_endo -75.09 145.89 31.68 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.6 p -81.81 -8.02 59.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 78' ' ' PHE . 46.8 p -89.58 -13.83 36.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.894 HD22 ' O ' ' A' ' 73' ' ' PRO . 1.9 pt? -40.82 -50.67 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.927 HG11 ' HB2' ' A' ' 57' ' ' ALA . 36.5 t -85.35 43.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -152.65 -42.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.63 -12.39 27.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.617 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -100.22 108.92 54.81 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.621 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.0 -36.63 2.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.502 1.791 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -131.68 156.24 46.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -47.66 -53.47 14.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.51 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.8 OUTLIER -38.23 -48.6 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.412 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -57.97 -50.71 72.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.624 ' CG1' HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -53.7 -40.28 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 84' ' ' SER . . . -53.49 -48.11 69.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.85 -46.95 90.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.64 -34.37 62.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.681 ' HG ' HD21 ' A' ' 72' ' ' LEU . 9.1 mp -80.71 -40.67 24.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 95' ' ' GLY . 1.4 t70 -65.24 -46.3 81.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.82 -30.69 65.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -85.05 -20.84 29.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.423 ' HB2' HH21 ' A' ' 17' ' ' ARG . 48.7 mt -90.06 -22.16 21.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 76.47 113.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 4' ' ' MET . 0.2 OUTLIER -128.03 -82.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.633 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.47 ' CE ' ' HB3' ' A' ' 8' ' ' ARG . 1.1 ppp? -36.32 109.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.661 ' H ' HD12 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -91.62 -132.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -83.13 9.96 9.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.462 ' CG ' ' N ' ' A' ' 8' ' ' ARG . 6.4 p-10 -84.79 -50.41 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.47 ' HB3' ' CE ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -79.56 -39.54 31.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.7 mt -57.63 -19.74 28.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.21 17.98 2.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' LEU . . . -140.66 13.02 2.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.467 HD13 ' HG2' ' A' ' 16' ' ' GLU . 3.5 mm? 36.57 66.36 1.98 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.76 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 16' ' ' GLU . 18.3 Cg_endo -75.02 156.95 42.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.433 1.754 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.33 -28.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 13' ' ' PRO . . . -67.9 -51.06 52.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.467 ' HG2' HD13 ' A' ' 12' ' ' LEU . 5.4 tp10 -59.85 -61.37 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.418 ' NH2' ' HB3' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -48.63 -35.18 13.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.7 m -79.39 -35.6 40.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -73.02 -29.66 63.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.81 -48.03 34.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.901 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -59.13 -43.66 91.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.53 HG22 ' HB2' ' A' ' 87' ' ' ALA . 3.7 t -58.9 -66.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -39.41 -44.96 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.673 HD13 ' HB1' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -57.75 -53.45 58.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 21' ' ' LEU . 16.8 t -55.61 -57.27 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.228 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -42.51 -55.05 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 31' ' ' THR . 3.5 p -66.29 -53.65 34.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.772 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.6 t -46.82 -53.37 12.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.456 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 3.6 m -54.55 -71.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.404 ' HA ' HD23 ' A' ' 33' ' ' LEU . . . -45.98 -34.86 4.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 27' ' ' THR . 20.2 m -68.14 -38.41 82.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 28' ' ' SER . 55.2 t -59.65 -17.6 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 30' ' ' ALA . 2.9 mm? -90.1 -20.16 23.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.19 0.51 29.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -119.08 130.1 55.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 0.768 . . . . 0.0 109.625 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -103.72 71.19 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.23 106.48 3.36 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 41' ' ' VAL . 18.3 Cg_endo -74.98 -15.32 20.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -54.04 -20.29 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.27 23.72 7.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.656 HG12 ' H ' ' A' ' 43' ' ' ALA . 25.6 t -147.89 124.38 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.66 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.5 mtm180 -92.87 13.49 20.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 81.84 -51.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -96.45 43.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.43 160.42 30.6 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 123.76 8.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 5.5 p90 -74.1 -28.3 61.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -69.78 -16.59 63.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.53 -26.97 24.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.418 HD13 HG22 ' A' ' 29' ' ' THR . 37.9 mt -67.62 -31.09 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.74 41.59 1.56 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.44 1.088 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CE2' HD22 ' A' ' 60' ' ' LEU . 5.2 m-85 -95.57 141.53 28.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -149.38 -83.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.8 m -124.99 -63.93 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.0 -54.83 37.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.97 -30.51 68.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.883 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -68.0 -31.35 70.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.417 ' CG1' ' OD1' ' A' ' 62' ' ' ASN . 1.2 t -83.67 -54.14 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.63 -28.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.612 ' HB2' HG21 ' A' ' 32' ' ' VAL . 11.7 tp -86.49 -50.67 6.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.535 HH21 ' HA ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -59.38 -15.3 15.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.463 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 29.5 m120 -80.18 -38.72 30.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.441 HD22 ' OG ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -85.58 -51.96 6.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.708 ' CD1' HG11 ' A' ' 86' ' ' VAL . 12.3 mt -43.6 -57.81 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.679 ' N ' HD12 ' A' ' 72' ' ' LEU . 3.1 p30 -53.57 -39.44 64.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.466 ' N ' ' OD1' ' A' ' 65' ' ' ASN . . . -67.81 -9.6 45.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.673 ' HB1' HD13 ' A' ' 24' ' ' LEU . . . -107.45 24.02 13.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.936 ' O ' HD21 ' A' ' 94' ' ' LEU . 1.2 p -141.06 -44.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.392 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.71 -3.83 14.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 0.7 OUTLIER -119.62 -160.23 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.52 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -109.67 2.49 20.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.728 HD13 ' CD1' ' A' ' 76' ' ' LEU . 18.8 mt 53.24 163.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 156.18 42.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.477 1.778 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.535 ' HA ' HH21 ' A' ' 61' ' ' ARG . 10.1 t -79.3 -15.76 57.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.962 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 78' ' ' PHE . 77.1 p -90.33 -7.22 53.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.728 ' CD1' HD13 ' A' ' 72' ' ' LEU . 9.6 tt -39.69 -52.93 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.883 HG11 ' CB ' ' A' ' 57' ' ' ALA . 40.5 t -85.13 44.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.481 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -151.44 -41.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.47 8.07 45.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.603 ' CE1' ' HA ' ' A' ' 77' ' ' VAL . 3.7 p-80 -101.32 107.65 51.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.593 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.459 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.4 Cg_endo -75.02 -25.31 11.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -159.69 175.93 12.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 43' ' ' ALA . . . -66.16 -51.91 53.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.37 -27.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.459 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -78.0 -53.05 7.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.153 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.708 HG11 ' CD1' ' A' ' 64' ' ' LEU . 88.4 t -44.51 -50.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.53 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -43.94 -57.33 3.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.52 -55.86 20.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.21 -41.64 13.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.747 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.736 ' HG ' HG21 ' A' ' 68' ' ' THR . 10.8 mp -70.82 -44.69 66.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -61.38 -46.83 88.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.59 -36.86 74.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.47 -27.43 64.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.936 HD21 ' O ' ' A' ' 68' ' ' THR . 48.5 mt -87.71 -24.14 23.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.936 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.66 ' O ' HD23 ' A' ' 5' ' ' LEU . 7.1 t -134.37 -55.54 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 0.791 . . . . 0.0 109.985 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 46.61 -167.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.602 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.439 ' O ' ' N ' ' A' ' 7' ' ' ASP . 0.5 OUTLIER -80.33 52.2 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 2' ' ' SER . 0.2 OUTLIER -40.7 -43.96 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -47.0 87.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 4' ' ' MET . 0.5 OUTLIER -85.51 49.35 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.41 ' HD3' HD13 ' A' ' 5' ' ' LEU . 10.4 mtp180 -87.95 -39.55 14.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.628 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.6 OUTLIER -64.9 -17.22 64.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.414 ' HB2' ' OD1' ' A' ' 7' ' ' ASP . . . -44.79 86.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.628 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 44.25 25.56 0.77 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 11' ' ' GLY . 1.9 mp 40.96 90.61 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' ARG . 18.4 Cg_endo -74.96 176.35 10.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -38.09 -55.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' ARG . . . -40.4 -56.47 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -63.73 -40.86 97.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -57.94 -54.05 51.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.3 m -66.22 -46.98 75.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.14 -22.71 67.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 16' ' ' GLU . 12.1 tt0 -82.33 -43.28 17.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -30.84 68.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.52 HG22 ' HB2' ' A' ' 87' ' ' ALA . 2.9 t -64.09 -52.8 51.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -54.5 -39.25 67.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 tt -73.35 -45.48 54.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.785 HG22 HD21 ' A' ' 64' ' ' LEU . 2.2 t -49.31 -48.71 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.787 ' HG3' HG11 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -55.25 -62.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -52.65 -47.48 67.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 32' ' ' VAL . 22.7 p -54.31 -43.04 70.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.009 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.643 HG23 ' CE2' ' A' ' 52' ' ' PHE . 25.1 m -61.91 -65.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.417 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.96 -37.01 8.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.3 m -61.09 -37.33 82.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.696 HG21 ' HB2' ' A' ' 60' ' ' LEU . 53.3 t -65.12 -18.08 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.878 HD11 HD13 ' A' ' 50' ' ' LEU . 14.9 mt -104.65 29.58 6.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 39.84 46.39 3.05 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -159.64 133.8 7.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 0.796 . . . . 0.0 109.597 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.43 71.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -136.78 91.69 15.26 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' VAL . 18.5 Cg_endo -74.91 -17.2 19.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.041 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -20.64 6.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.48 27.51 4.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.787 HG11 ' HG3' ' A' ' 26' ' ' ARG . 49.1 t -137.69 144.44 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.694 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -125.47 9.1 7.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 83.66 -50.75 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.454 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 6.6 p -90.89 28.5 1.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 110.454 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -85.25 144.74 41.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.393 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.49 ' HG2' ' CB ' ' A' ' 49' ' ' GLU . 18.3 Cg_endo -75.02 137.92 22.31 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' A' ' 48' ' ' LYS . 27.8 p90 -69.78 -40.85 75.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.629 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -64.47 -10.94 28.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.49 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . 1.9 tp10 -87.93 -35.92 17.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.888 HD11 ' CD1' ' A' ' 52' ' ' PHE . 4.2 pp -85.07 -13.45 50.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.71 60.2 0.94 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.888 ' CD1' HD11 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -123.64 140.18 53.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -159.44 -81.2 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 58' ' ' VAL . 73.1 m -120.28 -68.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.003 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 mt -45.59 -53.71 8.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.821 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -63.32 -39.21 93.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.81 ' HB2' HG11 ' A' ' 77' ' ' VAL . . . -62.9 -37.41 86.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.1 t -67.85 -45.9 83.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.687 ' HB3' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -65.01 -29.22 70.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.696 ' HB2' HG21 ' A' ' 32' ' ' VAL . 7.0 tp -79.73 -40.7 28.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.39 -45.97 92.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -55.56 -38.59 69.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -78.55 -54.21 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.785 HD21 HG22 ' A' ' 25' ' ' VAL . 8.3 mt -49.55 -39.77 35.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -55.85 -27.26 50.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -85.69 9.75 15.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.11 27.08 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.597 ' HA ' HD21 ' A' ' 94' ' ' LEU . 7.0 p -148.73 -58.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.424 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 126.68 -14.97 6.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.452 HD11 ' OE1' ' A' ' 93' ' ' GLU . 0.6 OUTLIER -120.01 -170.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.515 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -92.45 2.87 56.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.647 HD12 ' HB3' ' A' ' 64' ' ' LEU . 13.3 mt 52.94 164.51 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.885 ' O ' HD12 ' A' ' 76' ' ' LEU . 18.4 Cg_endo -75.05 150.4 37.89 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.793 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.1 p -74.92 -23.71 58.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.3 p -92.0 3.22 55.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.428 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.935 HD13 ' H ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -57.69 -40.99 80.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.935 ' H ' HD13 ' A' ' 76' ' ' LEU . 1.6 t -84.86 4.35 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -109.8 -43.89 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.405 ' HB3' ' CE2' ' A' ' 89' ' ' PHE . 1.7 t70 -75.61 -28.76 59.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.823 ' CD2' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -92.01 112.3 54.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.617 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.455 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -74.96 -37.68 1.95 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.484 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 0.1 OUTLIER -131.54 165.66 23.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.487 ' HB1' ' CG1' ' A' ' 25' ' ' VAL . . . -53.5 -55.52 24.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -37.8 -33.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.943 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 82' ' ' ASN . . . -75.29 -54.56 6.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.823 HG23 ' CD2' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -46.57 -42.44 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.52 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -49.65 -49.62 46.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -62.73 -61.64 6.3 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' A' ' 79' ' ' ASP . 0.7 OUTLIER -44.3 -37.58 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 110.952 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.734 ' CD2' HD22 ' A' ' 64' ' ' LEU . 8.9 mp -77.59 -44.58 27.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -58.44 -45.31 88.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.73 -36.25 76.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.452 ' OE1' HD11 ' A' ' 70' ' ' LEU . 1.6 mt-10 -75.03 -22.73 58.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.245 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.597 HD21 ' HA ' ' A' ' 68' ' ' THR . 4.1 mt -88.86 -25.02 22.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.934 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.416 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 1.4 m 79.08 147.21 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 0.78 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -74.16 -56.0 5.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.618 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.407 ' O ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -88.44 37.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -57.19 -161.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.509 ' CG ' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -67.9 66.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.9 p30 -38.67 -28.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -37.06 -30.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' ASP . 19.6 mt -47.07 -24.98 0.74 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 8' ' ' ARG . . . -84.39 26.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 8' ' ' ARG . . . -145.42 23.68 1.86 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.9 mt -82.06 155.38 69.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -173.2 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.519 1.799 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -61.28 -53.64 54.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.44 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.71 -37.81 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -53.35 52.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 22' ' ' VAL . 17.7 m -55.59 -46.52 77.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.5 -24.16 61.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -73.84 -40.89 62.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.533 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -75.74 -23.98 56.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.565 HG12 ' N ' ' A' ' 23' ' ' ARG . 2.3 t -60.91 -72.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.565 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -51.86 -29.53 19.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.609 HD11 ' CB ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -60.27 -52.82 63.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.821 HG11 HG11 ' A' ' 86' ' ' VAL . 79.0 t -56.62 -60.04 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -38.2 -50.04 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.568 HG23 ' HG3' ' A' ' 38' ' ' PRO . 2.9 m -66.17 -41.2 90.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.43 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 25' ' ' VAL . 1.2 m -65.45 -35.09 79.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.662 ' O ' HG12 ' A' ' 32' ' ' VAL . 1.7 m -64.26 -71.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.954 ' HB1' ' O ' ' A' ' 35' ' ' HIS . . . -44.45 -39.32 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.6 m -62.46 -39.02 92.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.351 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.856 HG13 HD13 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -59.82 -29.78 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.856 HD13 HG13 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -90.68 -20.34 22.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.558 ' O ' ' CG ' ' A' ' 35' ' ' HIS . . . 127.25 -49.65 0.92 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.954 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 91.5 m-70 -160.54 -119.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 0.0 109.564 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 3.0 t0 85.81 -8.75 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.8 t0 61.14 121.01 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.568 ' HG3' HG23 ' A' ' 27' ' ' THR . 18.4 Cg_endo -75.0 -18.61 18.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -82.58 0.13 44.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.86 20.98 15.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.567 HG13 HG21 ' A' ' 45' ' ' THR . 41.2 t -135.7 140.23 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -73.17 -179.86 3.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.37 -21.58 19.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 p -113.28 37.56 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.363 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.567 HG21 HG13 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -89.2 157.24 48.16 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.382 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 131.18 13.98 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.45 1.763 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.682 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -82.6 -47.51 12.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -18.08 14.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.43 -32.81 58.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 47' ' ' PHE . 3.1 mt -66.65 -28.89 68.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.22 63.75 0.39 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.617 ' CE1' HG11 ' A' ' 32' ' ' VAL . 3.1 m-85 -113.42 132.49 55.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.637 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -170.59 122.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 58' ' ' VAL . 7.8 m 37.38 -87.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.637 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -43.54 -70.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.484 ' HB3' ' H ' ' A' ' 53' ' ' ASP . . . -58.15 -28.83 65.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.485 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -68.57 -28.72 67.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.9 t -91.06 -48.79 13.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.96 -37.51 9.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.507 HD22 ' HG ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -73.56 -64.09 1.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.46 -25.4 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -73.28 -41.8 63.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 60' ' ' LEU . 30.1 tp -76.92 -33.49 57.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.639 ' HB3' HD21 ' A' ' 90' ' ' LEU . 4.8 mt -69.15 -10.37 57.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.36 -9.64 59.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.33 -23.52 22.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.609 ' CB ' HD11 ' A' ' 24' ' ' LEU . . . -94.69 1.12 55.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.791 HG21 HD11 ' A' ' 72' ' ' LEU . 3.6 p -127.87 -60.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.35 22.77 56.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.43 -177.77 4.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 3.6 ptp180 -86.8 106.82 17.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.791 HD11 HG21 ' A' ' 68' ' ' THR . 28.1 mt -96.16 157.82 35.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 1.038 ' O ' HD12 ' A' ' 76' ' ' LEU . 18.3 Cg_endo -75.03 150.24 37.71 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.759 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.2 p -85.44 -17.32 36.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -84.67 -11.93 54.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.415 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.038 HD12 ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -51.16 -39.83 57.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.942 ' H ' HD13 ' A' ' 76' ' ' LEU . 2.7 t -62.48 -19.77 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.4 OUTLIER -113.25 -4.19 13.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.041 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 75' ' ' THR . 13.7 t0 -103.83 -17.95 14.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.653 ' NE2' ' CD2' ' A' ' 47' ' ' PHE . 4.1 p-80 -106.38 108.46 61.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.573 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.4 Cg_endo -75.03 -17.77 19.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.418 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -156.1 157.9 36.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.402 ' C ' ' N ' ' A' ' 85' ' ' ALA . . . -50.33 -47.91 55.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.61 -25.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.423 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -87.49 -53.94 4.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.865 HG23 HD23 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -54.99 -41.88 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.47 -37.74 62.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . -71.01 -61.62 3.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.02 -33.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.791 ' HG ' HG21 ' A' ' 68' ' ' THR . 8.8 mp -78.28 -43.1 28.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 88' ' ' GLY . 2.6 t70 -62.92 -46.62 86.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.76 71.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -75.74 -24.87 56.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.664 HD21 ' HA ' ' A' ' 68' ' ' THR . 8.0 mt -85.01 -26.64 26.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 111.017 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.29 -78.06 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 110.02 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 60.32 -165.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.624 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 30.4 mmt -85.42 45.13 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.976 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.793 HD22 ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -61.24 -15.64 36.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.436 ' N ' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -67.78 -44.99 76.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.282 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -89.63 -11.64 41.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -41.59 11.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.814 HD12 ' N ' ' A' ' 10' ' ' ALA . 1.1 pp -54.0 -20.45 6.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.814 ' N ' HD12 ' A' ' 9' ' ' LEU . . . -72.72 10.68 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.503 ' H ' ' C ' ' A' ' 9' ' ' LEU . . . -143.0 16.17 2.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.564 HD22 ' H ' ' A' ' 12' ' ' LEU . 1.6 mm? 39.52 65.69 3.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -172.41 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.451 1.764 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -73.15 -32.14 64.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 19' ' ' ALA . . . -60.78 -53.9 51.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -64.78 -57.76 8.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -48.27 -35.42 12.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.405 ' CB ' ' O ' ' A' ' 14' ' ' ARG . 52.4 m -83.67 -37.28 23.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -66.45 -27.99 68.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.29 -39.28 33.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.445 HD23 HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -69.25 -31.04 69.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.493 HG22 ' HB2' ' A' ' 87' ' ' ALA . 2.7 t -65.35 -65.53 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -53.68 -19.93 4.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.684 ' C ' HD23 ' A' ' 24' ' ' LEU . 3.1 tt -82.09 -43.98 17.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.706 HG11 ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -70.28 -20.43 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.35 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.485 ' HG2' HG12 ' A' ' 41' ' ' VAL . 46.7 mtp180 -76.89 -47.65 20.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -77.85 -42.2 34.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.365 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.7 m -60.96 -34.02 74.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.642 ' CG2' ' CE2' ' A' ' 52' ' ' PHE . 3.3 m -71.26 -62.77 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.67 -30.3 3.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 43.0 m -64.28 -34.48 78.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.428 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.543 HG21 ' HB2' ' A' ' 60' ' ' LEU . 86.1 t -59.75 -37.31 70.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.778 HD21 ' O ' ' A' ' 50' ' ' LEU . 4.0 mt -67.68 -23.52 65.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.9 53.6 1.62 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.01 176.97 11.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 109.604 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -142.0 56.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.16 82.99 67.15 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' VAL . 18.4 Cg_endo -74.92 -19.64 17.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -51.74 -28.93 16.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.62 29.14 5.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.485 HG12 ' HG2' ' A' ' 26' ' ' ARG . 78.4 t -127.92 139.95 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 mtp85 -125.91 -174.96 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.54 -17.93 21.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.486 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 60.2 p -118.27 37.5 4.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.748 HG23 ' HD2' ' A' ' 46' ' ' PRO . 2.7 m -91.72 146.75 33.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.748 ' HD2' HG23 ' A' ' 45' ' ' THR . 18.2 Cg_endo -75.01 104.34 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.766 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 1.6 t80 -56.5 -46.85 80.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.38 -36.88 69.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 51' ' ' GLY . 3.4 mm-40 -65.45 -43.81 89.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.778 ' O ' HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -44.88 -26.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 49' ' ' GLU . . . 102.24 35.99 3.74 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.642 ' CE2' ' CG2' ' A' ' 29' ' ' THR . 29.3 m-85 -100.98 106.97 18.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.74 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' SER . 6.0 m-20 -95.28 178.77 5.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 53' ' ' ASP . 4.0 m -37.1 -37.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.48 -64.44 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.619 ' HB3' ' HA ' ' A' ' 52' ' ' PHE . . . -54.59 -42.23 70.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.413 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -58.74 -32.2 69.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 59' ' ' ARG . 0.9 OUTLIER -83.48 -57.46 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.475 ' N ' HG12 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -40.69 -35.22 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.766 HD22 ' CZ ' ' A' ' 47' ' ' PHE . 2.0 tp -77.48 -45.46 25.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -60.93 -25.7 66.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.271 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.451 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 13.1 m120 -78.11 -31.39 49.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.43 -46.69 10.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.603 HD11 ' CG2' ' A' ' 25' ' ' VAL . 8.1 mt -56.17 -18.74 10.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -59.0 -19.79 46.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.03 -18.39 21.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.75 -35.49 67.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.985 HG23 HD23 ' A' ' 90' ' ' LEU . 1.6 p -106.26 -31.78 8.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.59 11.62 68.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.511 HD21 ' HB3' ' A' ' 93' ' ' GLU . 1.6 pp -129.8 177.08 7.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 0.752 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -85.28 99.5 11.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.418 HD11 ' HG ' ' A' ' 90' ' ' LEU . 43.8 mt -78.53 159.93 73.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.898 ' O ' HD12 ' A' ' 76' ' ' LEU . 18.2 Cg_endo -74.98 147.01 33.41 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.53 1.805 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.8 p -75.44 -21.88 57.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 78' ' ' PHE . 70.8 p -90.65 -1.16 57.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.433 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.937 HD13 ' H ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -52.26 -40.47 61.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.937 ' H ' HD13 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -69.06 -19.95 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 75' ' ' THR . 1.2 m-85 -91.88 -51.38 5.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -59.34 -29.63 67.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.714 ' ND1' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -94.9 113.46 61.33 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.622 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -33.14 4.85 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.545 1.813 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.486 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -140.06 162.57 34.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 85' ' ' ALA . . . -52.17 -51.75 56.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -37.54 -31.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.953 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' ALA . . . -83.79 -52.1 6.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.714 HG23 ' ND1' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -47.18 -41.83 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.493 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -53.43 -43.16 67.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.13 -59.35 7.52 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -44.3 -33.98 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 0.796 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.985 HD23 HG23 ' A' ' 68' ' ' THR . 3.3 mp -81.96 -47.78 12.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -55.32 -48.65 73.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.04 -38.44 70.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.511 ' HB3' HD21 ' A' ' 70' ' ' LEU . 25.4 mm-40 -70.87 -26.57 63.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.79 ' CD1' HG22 ' A' ' 68' ' ' THR . 2.7 mt -86.44 -24.91 25.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.11 . . . . 0.0 111.013 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -160.4 -177.06 5.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 0.757 . . . . 0.0 109.963 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -90.75 -92.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.596 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 54.9 tpp -82.83 100.32 10.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.46 -35.26 14.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -53.54 23.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.93 30.68 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -90.27 -32.55 16.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.533 ' N ' ' CD2' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -88.94 -49.69 6.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.24 17.83 3.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -140.91 24.63 2.58 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 12' ' ' LEU . 1.5 pp -98.42 109.85 54.22 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -166.24 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.534 1.807 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -61.21 -32.52 72.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.73 -72.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 5.1 mm-40 -41.17 -45.35 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -61.53 -56.15 23.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.348 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 m -58.55 -47.69 83.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.367 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.54 -21.82 65.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 0.7 OUTLIER -78.5 -43.24 27.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.999 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -58.26 -46.46 85.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.343 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.543 HG22 ' HB2' ' A' ' 87' ' ' ALA . 54.9 t -58.87 -64.06 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -42.22 -29.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -87.01 -42.78 12.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.999 HG23 ' O ' ' A' ' 21' ' ' LEU . 96.7 t -53.96 -41.57 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.466 ' CG ' HG12 ' A' ' 41' ' ' VAL . 2.1 ttp180 -62.69 -72.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.4 m -49.18 -46.24 45.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 82.6 p -48.47 -42.66 33.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.984 ' O ' HG12 ' A' ' 32' ' ' VAL . 16.8 m -72.2 -64.76 0.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.723 ' HB1' ' CD2' ' A' ' 35' ' ' HIS . . . -47.47 -32.42 5.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.5 m -60.97 -34.63 75.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.4 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.984 HG12 ' O ' ' A' ' 29' ' ' THR . 3.4 p -70.6 -24.42 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.714 HD23 ' HA ' ' A' ' 30' ' ' ALA . 2.2 mm? -76.41 -34.83 58.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.71 -5.31 32.74 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.723 ' CD2' ' HB1' ' A' ' 30' ' ' ALA . 1.0 OUTLIER -95.05 -17.1 22.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.618 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.521 ' C ' ' O ' ' A' ' 35' ' ' HIS . 10.0 t70 30.68 45.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.232 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 35' ' ' HIS . 76.1 m-20 -113.97 96.94 43.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.17 18.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.792 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -19.42 63.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.87 -4.72 27.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.568 HG21 ' HB2' ' A' ' 30' ' ' ALA . 94.3 t -117.24 142.96 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -117.96 175.51 5.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.471 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . . . -81.74 -22.99 36.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.474 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 8.1 p -115.26 35.32 4.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.8 150.84 37.19 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 110.396 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 101.86 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.616 ' HA ' HD12 ' A' ' 50' ' ' LEU . 6.0 p90 -56.67 -25.81 54.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -15.87 62.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -94.24 -23.23 17.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 47' ' ' PHE . 60.0 mt -67.36 -27.65 67.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.39 57.26 0.27 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.747 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 3.2 m-85 -123.77 147.57 47.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -148.57 -71.68 0.2 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.2 m -138.42 -66.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.2 -45.91 72.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.482 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -65.2 -39.57 93.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.83 -26.39 66.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -87.33 -54.95 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.51 -34.76 5.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.483 HD23 HG21 ' A' ' 77' ' ' VAL . 17.6 tp -68.5 -52.69 29.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -39.84 25.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -73.46 -25.85 60.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.6 tt -83.53 -30.51 27.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.472 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 6.4 mt -76.15 -19.81 58.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.07 -15.79 26.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.64 -17.52 20.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.71 -30.2 36.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.588 HG21 HD21 ' A' ' 72' ' ' LEU . 2.8 p -111.06 -51.53 2.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.1 16.45 50.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 93' ' ' GLU . 1.4 pp -131.46 -174.99 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 1.1 ptp180 -79.47 98.89 6.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.588 HD21 HG21 ' A' ' 68' ' ' THR . 34.8 mt -82.79 159.73 62.72 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.566 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.4 Cg_endo -75.01 144.69 30.52 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.0 t -78.58 -17.63 55.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.965 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 78' ' ' PHE . 7.8 p -89.66 -1.71 58.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.411 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.451 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 2.6 tt -39.22 -56.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.58 HG11 ' CD2' ' A' ' 52' ' ' PHE . 50.4 t -85.42 44.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.5 OUTLIER -156.09 -41.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.76 -11.0 37.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.554 ' C ' ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -90.7 139.66 26.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.603 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.814 ' HD2' ' HB3' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -74.98 -58.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.549 ' O ' ' CD2' ' A' ' 80' ' ' HIS . 54.4 m-80 -128.45 -97.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' A' ' 43' ' ' ALA . . . -143.25 -31.27 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.34 -33.64 54.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.814 ' HB3' ' HD2' ' A' ' 81' ' ' PRO . . . -81.24 -41.77 21.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.637 HG12 HD11 ' A' ' 90' ' ' LEU . 95.0 t -48.61 -43.92 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.543 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -54.93 -51.85 64.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.37 -59.87 7.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -49.06 -38.63 24.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 111.06 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.637 HD11 HG12 ' A' ' 86' ' ' VAL . 8.8 mt -73.88 -37.53 64.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.77 -45.91 70.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.2 79.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.498 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 3.8 mm-40 -69.56 -28.09 65.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.519 HD21 ' O ' ' A' ' 68' ' ' THR . 13.2 mt -88.96 -22.75 22.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.508 1.13 . . . . 0.0 111.056 -179.979 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 p 179.12 -49.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 0.763 . . . . 0.0 109.944 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -105.49 -48.77 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.599 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.8 mmt -80.66 56.19 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mt -73.21 -49.24 29.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -38.84 -50.83 1.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.253 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 34.0 t70 -40.61 -52.28 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -48.57 -58.37 4.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.0 mt -54.13 -26.23 26.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 7' ' ' ASP . . . -82.47 13.57 3.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 8' ' ' ARG . . . -151.8 20.32 0.89 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 pp -43.57 102.62 0.29 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 14' ' ' ARG . 18.5 Cg_endo -74.94 163.16 35.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.792 HH21 ' C ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -37.92 -33.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.946 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' PRO . . . -56.25 -69.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -49.47 -55.31 13.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -37.69 62.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.468 ' CB ' ' O ' ' A' ' 14' ' ' ARG . 16.1 m -72.93 -37.47 67.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.428 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.71 -18.48 54.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -79.62 -49.63 11.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.602 HD13 HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -45.93 -52.69 11.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.953 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.029 HG13 HH21 ' A' ' 26' ' ' ARG . 12.9 t -57.41 -71.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.4 mtt85 -42.24 -27.69 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.934 HD21 ' HB1' ' A' ' 67' ' ' ALA . 1.1 tp -76.47 -58.44 3.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.75 HG11 HG11 ' A' ' 86' ' ' VAL . 57.3 t -42.53 -49.93 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 1.029 HH21 HG13 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -46.89 -62.74 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' ' 31' ' ' THR . 13.3 m -48.79 -35.32 14.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.415 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 t -68.32 -45.2 73.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.989 ' O ' HG12 ' A' ' 32' ' ' VAL . 18.9 m -55.53 -73.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.87 -31.09 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 27' ' ' THR . 3.2 m -73.17 -38.84 66.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.989 HG12 ' O ' ' A' ' 29' ' ' THR . 2.7 p -59.4 -22.19 22.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 50' ' ' LEU . 1.8 mt -90.46 -20.43 22.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.76 43.06 3.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -148.58 169.73 19.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 0.755 . . . . 0.0 109.623 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -127.8 75.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -141.2 80.1 17.14 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -18.26 18.77 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.85 10.21 27.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.22 -14.13 15.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.498 HG13 ' CG ' ' A' ' 26' ' ' ARG . 10.8 p -117.81 161.02 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.442 ' O ' ' NH1' ' A' ' 26' ' ' ARG . 1.7 mtm180 -118.61 168.15 10.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.51 -16.39 56.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 p -116.26 29.88 7.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -110.84 141.48 24.23 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.433 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 45' ' ' THR . 18.4 Cg_endo -74.96 108.77 2.79 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.696 ' CD1' HG21 ' A' ' 29' ' ' THR . 8.7 m-30 -49.0 -20.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -71.6 -31.19 66.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -54.45 -19.09 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.554 ' CD1' ' HA ' ' A' ' 47' ' ' PHE . 1.4 mp -97.51 -17.48 19.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 52' ' ' PHE . . . 127.88 -44.22 1.25 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.787 ' CE2' HD22 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -35.76 135.15 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.997 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.616 ' O ' ' HB2' ' A' ' 57' ' ' ALA . 32.5 t0 -170.13 -56.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 57' ' ' ALA . 93.7 p -116.19 -84.4 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.983 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 55' ' ' LEU . 11.9 mt -41.71 -45.7 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.709 ' HB3' ' HA ' ' A' ' 52' ' ' PHE . . . -72.81 -36.55 67.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.957 ' HB1' HG21 ' A' ' 77' ' ' VAL . . . -62.5 -38.1 88.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.8 t -76.63 -32.81 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -83.02 -16.05 48.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 110.321 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.787 HD22 ' CE2' ' A' ' 52' ' ' PHE . 9.3 tp -78.58 -50.71 11.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.679 ' HD3' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -54.82 -59.04 5.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -44.97 -27.74 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.408 ' N ' ' C ' ' A' ' 61' ' ' ARG . 0.8 OUTLIER -90.42 -38.73 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.267 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 11.2 mt -74.45 -5.05 40.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -66.74 -38.6 86.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.57 -5.26 59.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.934 ' HB1' HD21 ' A' ' 24' ' ' LEU . . . -80.64 -30.93 36.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.583 HG21 HD22 ' A' ' 90' ' ' LEU . 1.2 p -115.66 -39.04 3.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.67 -4.36 24.55 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.867 HD11 ' HG2' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -119.35 -169.57 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.764 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.499 ' O ' ' O ' ' A' ' 72' ' ' LEU . 14.4 mtm180 -94.27 2.24 55.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.766 HD21 ' CD2' ' A' ' 90' ' ' LEU . 19.1 mt 52.87 165.01 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 72' ' ' LEU . 18.4 Cg_endo -75.02 133.28 16.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.454 ' HA ' HH21 ' A' ' 61' ' ' ARG . 57.0 p -56.13 -24.17 39.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.005 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 79' ' ' ASP . 60.7 p -90.52 1.81 56.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.422 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.071 HD23 HG13 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -40.01 -76.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.071 HG13 HD23 ' A' ' 76' ' ' LEU . 32.2 m -59.11 -16.72 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.436 ' CB ' ' HA ' ' A' ' 75' ' ' THR . 4.5 t80 -84.34 -10.39 57.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 75' ' ' THR . 10.5 t0 -127.07 -1.88 6.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.644 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -110.84 103.34 54.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.615 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -74.99 -51.0 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -122.07 167.51 13.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.594 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . . . -56.87 -55.55 33.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' ALA . 1.3 t -38.26 -41.48 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.473 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -68.53 -63.08 1.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.75 HG11 HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -41.53 -49.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.601 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -44.76 -55.35 5.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.09 -60.0 8.69 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.7 -34.26 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.766 ' CD2' HD21 ' A' ' 72' ' ' LEU . 75.7 mt -76.9 -38.66 53.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -68.39 -45.74 71.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.33 -36.63 80.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.867 ' HG2' HD11 ' A' ' 70' ' ' LEU . 1.2 tp10 -69.95 -27.91 65.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.8 mt -90.08 -21.81 22.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.792 ' C ' HH21 ' A' ' 14' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.445 1.091 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.512 ' N ' HD11 ' A' ' 12' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p -153.19 -178.47 6.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 66.7 -84.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.409 ' CB ' ' HB2' ' A' ' 7' ' ' ASP . 17.9 mmt -83.64 83.85 7.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 mp -50.01 -29.59 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -76.8 -50.43 13.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.409 ' HB2' ' CB ' ' A' ' 4' ' ' MET . 0.8 OUTLIER -89.47 44.0 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 1' ' ' GLY . 9.1 mtm180 -85.19 -40.04 17.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER -83.26 -23.81 32.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.15 68.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 145.91 -15.65 1.75 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.512 HD11 ' N ' ' A' ' 1' ' ' GLY . 0.5 OUTLIER -155.74 91.23 2.76 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -176.89 3.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.772 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -48.92 -37.05 18.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.57 -65.98 0.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLU . 5.9 mm-40 -38.71 -54.86 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -55.24 -54.77 39.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.402 ' OG1' ' OD1' ' A' ' 91' ' ' ASP . 36.8 m -56.59 -43.18 79.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.41 -13.65 60.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' GLU . 9.2 tt0 -87.33 -41.37 13.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.53 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -68.58 -38.67 80.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.0 t -54.46 -62.22 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.65 -41.7 22.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.521 HD21 ' HA ' ' A' ' 67' ' ' ALA . 6.1 tp -67.49 -52.56 37.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.555 HG21 HG12 ' A' ' 86' ' ' VAL . 31.3 t -46.81 -38.08 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -71.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 31' ' ' THR . 1.4 p -43.77 -43.29 6.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.34 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.443 ' HA ' HD21 ' A' ' 63' ' ' LEU . 3.5 m -59.45 -48.18 82.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.831 HG23 ' CE2' ' A' ' 52' ' ' PHE . 100.0 m -55.03 -59.36 4.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.686 ' HA ' HD12 ' A' ' 33' ' ' LEU . . . -60.91 -36.1 78.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 27' ' ' THR . 1.3 m -55.55 -38.57 69.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.587 HG22 ' HB3' ' A' ' 59' ' ' ARG . 6.6 t -60.83 -27.38 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.697 HD11 ' HB2' ' A' ' 50' ' ' LEU . 5.6 mt -86.09 -12.07 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.229 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.86 24.28 76.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.6 OUTLIER -85.41 -13.64 48.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.619 179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' HIS . 6.5 m-20 37.41 65.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -178.3 120.22 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.498 ' HA ' HG12 ' A' ' 41' ' ' VAL . 18.5 Cg_endo -74.98 -19.2 18.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.444 1.76 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -63.45 -16.52 60.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.85 27.46 5.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' A' ' 38' ' ' PRO . 7.1 p -168.03 158.24 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -138.44 175.26 9.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.17 -29.54 34.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.7 p -113.49 39.5 2.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.621 HG23 ' HD2' ' A' ' 46' ' ' PRO . 1.5 m -108.07 143.66 27.82 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.621 ' HD2' HG23 ' A' ' 45' ' ' THR . 18.3 Cg_endo -74.99 140.7 25.79 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.555 ' HA ' HD21 ' A' ' 50' ' ' LEU . 7.9 p90 -67.01 -33.1 74.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.536 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -70.12 -7.92 45.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' CG ' ' HG2' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -88.71 -33.74 17.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.697 ' HB2' HD11 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -90.92 -10.55 42.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.54 64.96 1.15 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.831 ' CE2' HG23 ' A' ' 29' ' ' THR . 1.4 m-30 -121.19 138.34 54.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.593 ' O ' ' HB2' ' A' ' 57' ' ' ALA . 5.3 m-20 -156.14 -86.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 57' ' ' ALA . 8.9 p -111.93 -79.73 0.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.961 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.43 -46.03 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.735 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -70.49 -40.26 73.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.895 ' HA ' HG21 ' A' ' 77' ' ' VAL . . . -62.42 -40.37 96.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.178 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.53 HG12 HD21 ' A' ' 62' ' ' ASN . 2.2 t -67.64 -54.7 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.619 ' HA ' ' OD1' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -56.7 -20.53 22.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.752 HD22 ' CE2' ' A' ' 52' ' ' PHE . 45.2 tp -81.42 -41.93 21.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -68.69 -61.35 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.318 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.619 ' OD1' ' HA ' ' A' ' 59' ' ' ARG . 2.7 p30 -51.35 -24.92 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' ' 28' ' ' SER . 52.7 tp -85.82 -43.32 13.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.1 mt -72.38 -6.13 41.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.3 -22.17 66.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.29 -15.74 22.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.521 ' HA ' HD21 ' A' ' 24' ' ' LEU . . . -74.25 -24.65 59.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.97 HG21 HD22 ' A' ' 90' ' ' LEU . 36.8 p -129.89 -44.35 1.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.373 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.74 -11.74 15.53 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.43 HD23 ' HB ' ' A' ' 68' ' ' THR . 0.6 OUTLIER -95.89 -174.66 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' A' ' 72' ' ' LEU . 3.7 ptp180 -92.96 6.2 48.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.868 HD23 HD13 ' A' ' 76' ' ' LEU . 1.8 mp 55.11 164.65 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.567 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -75.0 143.64 29.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.0 p -66.44 -24.96 66.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.974 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 78' ' ' PHE . 44.9 p -91.04 4.48 52.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.868 HD13 HD23 ' A' ' 72' ' ' LEU . 4.3 tp -41.38 -61.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.895 HG21 ' HA ' ' A' ' 57' ' ' ALA . 86.9 t -87.36 25.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.1 OUTLIER -139.97 9.5 2.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.4 OUTLIER -140.45 -37.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.72 ' CD2' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -87.57 121.59 70.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.585 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.455 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -127.1 -173.95 3.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -77.89 -43.45 30.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.89 -26.95 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 83' ' ' ALA . . . -83.97 -44.57 14.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.72 ' CG2' ' CD2' ' A' ' 80' ' ' HIS . 2.7 t -48.16 -50.07 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.94 -49.67 15.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.9 -57.24 20.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.1 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.567 ' CE1' ' HG3' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -51.57 -27.98 12.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.754 . . . . 0.0 110.962 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.97 HD22 HG21 ' A' ' 68' ' ' THR . 72.6 mt -85.04 -41.93 15.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.402 ' OD1' ' OG1' ' A' ' 18' ' ' THR . 5.2 t70 -56.45 -47.65 78.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.09 -35.04 74.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -73.52 -25.4 60.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.7 mt -89.75 -23.24 21.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.985 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 m -117.56 48.1 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.036 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -47.31 -41.15 18.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.599 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -90.38 113.76 25.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.88 -21.4 11.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -80.1 3.64 19.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.33 -8.46 46.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -21.37 1.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.765 HD12 ' N ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -67.28 -12.56 60.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.943 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.765 ' N ' HD12 ' A' ' 9' ' ' LEU . . . -73.4 9.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 9' ' ' LEU . . . -83.04 -28.76 36.27 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.615 HD22 ' C ' ' A' ' 10' ' ' ALA . 1.1 mm? 39.63 88.94 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.74 . . . . 0.0 109.333 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -174.37 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.799 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -41.98 -38.69 1.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.9 -82.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -43.28 -32.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -62.83 -52.75 61.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.527 HG23 ' OD1' ' A' ' 91' ' ' ASP . 23.0 m -61.64 -48.09 82.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.422 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.36 -27.6 67.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 3.8 tt0 -69.04 -45.39 70.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.565 HD21 ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -60.16 -36.43 77.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.857 HG22 ' HB2' ' A' ' 87' ' ' ALA . 40.4 t -62.57 -63.86 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.3 ttt-85 -55.79 -23.75 31.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.348 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.87 HD22 ' HB2' ' A' ' 67' ' ' ALA . 6.2 tt -80.75 -65.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.623 HG11 ' CG1' ' A' ' 86' ' ' VAL . 0.3 OUTLIER -42.8 -33.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.789 ' HG2' HG11 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -68.42 -64.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.3 m -51.6 -38.54 55.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.468 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.684 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.0 t -62.13 -54.17 45.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.054 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.542 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 24.4 m -59.59 -46.84 87.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.419 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.72 -29.68 70.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 m -72.58 -34.72 67.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 28' ' ' SER . 67.6 t -62.95 -14.24 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 33' ' ' LEU . 2.3 mm? -101.0 17.83 21.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.72 51.01 40.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -156.21 120.63 4.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.613 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.56 63.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.31 85.75 31.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.6 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.4 Cg_endo -75.0 -20.75 16.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -16.76 25.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.62 -17.77 20.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.789 HG11 ' HG2' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -78.97 -167.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.773 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 30.9 ttm-85 -153.13 -81.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 42' ' ' ARG . . . 153.72 -22.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 p -118.15 16.2 14.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.89 145.58 44.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 81' ' ' PRO . 18.1 Cg_endo -75.0 117.52 4.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.538 1.809 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -59.69 -23.14 62.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -57.06 -36.08 70.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.41 -16.82 59.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.42 -17.72 53.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.38 85.47 0.85 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.537 1.148 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.542 ' CZ ' HG23 ' A' ' 29' ' ' THR . 0.4 OUTLIER -131.53 138.75 49.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.986 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.627 ' H ' ' HB3' ' A' ' 56' ' ' ALA . 30.9 m-20 -135.49 -175.63 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.418 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 3.5 m -56.85 -17.6 9.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.029 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.02 -53.16 4.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.627 ' HB3' ' H ' ' A' ' 53' ' ' ASP . . . -66.1 -40.75 91.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.524 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -64.47 -36.73 85.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 54' ' ' SER . 2.4 t -72.5 -54.06 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -23.02 15.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.565 HD21 HD21 ' A' ' 64' ' ' LEU . 1.5 tm? -80.25 -51.6 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -28.27 49.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -74.27 -23.21 59.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.541 HD22 ' OG ' ' A' ' 28' ' ' SER . 1.2 tt -89.43 -45.44 9.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.565 HD21 HD21 ' A' ' 60' ' ' LEU . 4.0 mt -51.06 -23.21 2.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -19.58 17.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.16 -21.73 24.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.87 ' HB2' HD22 ' A' ' 24' ' ' LEU . . . -87.25 -13.17 44.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.675 HG21 ' CD2' ' A' ' 90' ' ' LEU . 23.4 p -139.19 -71.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.91 16.53 25.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.409 ' C ' HD12 ' A' ' 70' ' ' LEU . 4.3 pp -114.74 -170.2 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -82.06 102.18 10.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.493 ' CD2' HD21 ' A' ' 90' ' ' LEU . 59.7 mt -79.75 146.96 65.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.521 ' CG ' ' CE1' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -74.95 153.47 42.07 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.6 p -77.75 -20.93 52.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 78' ' ' PHE . 47.0 p -91.36 -3.48 56.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.63 ' C ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -45.05 -48.86 11.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.791 HG12 ' O ' ' A' ' 77' ' ' VAL . 53.9 t -88.97 36.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 75' ' ' THR . 3.5 t80 -148.19 -42.46 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 111.031 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.27 -11.04 53.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.751 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -103.14 106.42 50.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.613 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.478 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.1 Cg_endo -75.03 -24.79 12.43 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.99 162.13 38.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.524 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . . . -51.74 -54.36 29.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.67 -33.87 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 110.038 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.478 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -87.35 -46.78 9.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.751 HG23 ' CG ' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -53.34 -41.26 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.857 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -52.37 -44.22 65.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 89' ' ' PHE . . . -65.2 -59.6 7.72 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.116 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.633 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -37.42 -45.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 0.788 . . . . 0.0 111.042 179.973 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.675 ' CD2' HG21 ' A' ' 68' ' ' THR . 1.2 mt -74.1 -59.49 2.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.527 ' OD1' HG23 ' A' ' 18' ' ' THR . 1.5 t70 -43.24 -52.29 5.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.73 -39.69 58.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.7 tt0 -77.42 -22.18 51.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.4 mt -84.33 -28.17 27.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -119.14 -150.27 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 109.978 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 73.01 -70.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.65 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.33 112.29 23.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.15 -18.43 55.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.62 -44.88 40.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -90.71 36.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -79.42 -50.42 10.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.7 OUTLIER -44.67 -42.45 7.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.12 62.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.56 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 170.05 -25.74 0.1 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 mp 43.12 88.75 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 109.309 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -162.72 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.521 1.801 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -54.23 -49.43 69.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.88 -61.01 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 20' ' ' GLU . 13.5 mm-40 -55.37 -39.95 70.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.665 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -63.18 -47.25 83.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 m -64.29 -45.35 88.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.385 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.9 -22.08 61.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' GLU . 4.2 tt0 -74.85 -41.42 59.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.635 ' CD2' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -67.79 -32.95 73.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.72 HG22 ' HB2' ' A' ' 87' ' ' ALA . 5.1 t -64.94 -51.21 69.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -38.81 71.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.771 HD12 ' HB2' ' A' ' 67' ' ' ALA . 2.6 tm? -74.84 -37.01 62.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.512 HG11 ' CG1' ' A' ' 86' ' ' VAL . 2.2 t -56.11 -53.82 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -63.95 -71.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' ARG . 3.8 m -38.27 -31.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.996 ' O ' HG12 ' A' ' 32' ' ' VAL . 36.9 t -80.62 -51.16 9.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.575 ' CG2' HD21 ' A' ' 50' ' ' LEU . 98.9 m -48.31 -34.67 10.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.628 ' HB1' ' O ' ' A' ' 35' ' ' HIS . . . -82.6 -31.39 28.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' GLY . 41.5 m -72.78 -52.45 14.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.996 HG12 ' O ' ' A' ' 28' ' ' SER . 0.5 OUTLIER -45.11 -50.43 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.053 HD11 ' O ' ' A' ' 51' ' ' GLY . 13.3 mt -67.14 -29.22 68.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.554 ' O ' ' CG ' ' A' ' 35' ' ' HIS . . . 146.41 -62.33 0.46 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.628 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 36.1 m-70 -159.66 -127.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.75 . . . . 0.0 109.594 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.601 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 2.5 t70 88.23 -16.8 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 36' ' ' ASP . 0.3 OUTLIER 58.95 155.72 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.44 ' HA ' HG12 ' A' ' 41' ' ' VAL . 18.2 Cg_endo -75.05 -21.12 16.1 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.466 1.772 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -28.98 70.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 36' ' ' ASP . . . -93.61 40.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.455 ' CG2' HG21 ' A' ' 45' ' ' THR . 1.1 p -175.88 147.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.04 176.81 5.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.01 -22.68 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -112.57 36.18 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.455 HG21 ' CG2' ' A' ' 41' ' ' VAL . 0.4 OUTLIER -105.87 156.15 37.11 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.385 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.35 12.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.547 1.814 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.884 ' HA ' HD23 ' A' ' 50' ' ' LEU . 26.2 p90 -76.8 -30.82 56.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' N ' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -67.22 -10.98 56.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.72 -29.56 12.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.884 HD23 ' HA ' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -86.09 -13.78 46.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 1.053 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 117.97 121.69 3.14 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.696 ' CE1' ' HB1' ' A' ' 56' ' ' ALA . 0.1 OUTLIER 169.25 146.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 111.018 179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.25 -76.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' VAL . 38.4 m -130.76 -65.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.43 -55.45 8.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.696 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -66.66 -32.31 73.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.572 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -66.29 -31.32 72.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.3 t -84.71 -59.54 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.53 ' HB3' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -40.59 -34.8 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.724 HD13 HG11 ' A' ' 32' ' ' VAL . 12.4 tp -67.89 -68.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.05 -29.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 60' ' ' LEU . 4.9 m-80 -74.52 -53.27 9.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 60' ' ' LEU . 2.1 tt -66.4 -44.65 82.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' ALA . 5.9 mt -44.35 -30.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -50.5 -35.73 30.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.84 -29.83 70.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.771 ' HB2' HD12 ' A' ' 24' ' ' LEU . . . -83.25 -22.84 32.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.713 ' OG1' HD11 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -121.47 -88.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 -179.944 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.21 12.83 7.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.638 HD13 ' HB ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -121.98 -173.61 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 109.314 179.938 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -81.35 81.54 7.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.713 HD11 ' OG1' ' A' ' 68' ' ' THR . 19.6 mt -62.94 160.15 40.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.716 ' O ' HD12 ' A' ' 76' ' ' LEU . 18.2 Cg_endo -75.02 148.63 35.48 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.0 m -81.1 -21.61 39.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 79' ' ' ASP . 33.8 p -92.27 2.69 56.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.93 HD13 ' H ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -53.68 -40.81 66.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.93 ' H ' HD13 ' A' ' 76' ' ' LEU . 2.1 t -79.82 1.68 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -119.05 -12.58 9.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.4 OUTLIER -108.45 -8.37 15.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.691 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -112.27 103.19 55.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.592 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.458 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.03 -22.26 14.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -152.63 168.68 24.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 86' ' ' VAL . . . -59.88 -54.62 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.19 -27.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.458 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -88.16 -47.65 8.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.691 HG23 ' CG ' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -55.02 -46.21 77.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.72 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -46.82 -51.08 17.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -57.61 -57.42 19.88 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.123 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.627 ' CZ ' HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -45.7 -48.67 15.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 0.745 . . . . 0.0 111.008 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.695 HD23 ' CG2' ' A' ' 68' ' ' THR . 0.4 OUTLIER -60.79 -48.04 83.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -50.07 -23.65 2.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 89' ' ' PHE . . . -81.85 -34.2 30.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 90' ' ' LEU . 6.3 mm-40 -73.48 -29.62 62.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.665 HD22 ' CZ ' ' A' ' 17' ' ' ARG . 1.2 mt -91.38 -20.16 22.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.445 1.091 . . . . 0.0 111.0 -179.997 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 3' ' ' HIS . 0.6 OUTLIER 179.94 -79.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 109.975 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.486 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.9 OUTLIER 86.58 -48.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.571 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -8.96 58.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.2 tp -47.72 -40.96 21.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -50.32 12.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.4 43.91 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -88.33 -25.34 22.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER -86.53 -23.7 25.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.75 71.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 117.26 19.54 5.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' GLY . 1.8 pp -37.82 98.65 0.17 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 11' ' ' GLY . 18.2 Cg_endo -75.03 -177.35 3.41 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.27 -45.24 17.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.15 -70.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLU . 3.1 mp0 -41.61 -49.0 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -57.13 -54.56 45.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 m -60.4 -42.65 96.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.07 -22.96 63.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.8 tt0 -76.31 -49.63 16.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.98 ' O ' HG13 ' A' ' 25' ' ' VAL . 2.5 mm? -46.39 -57.04 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.838 HG22 ' HB2' ' A' ' 87' ' ' ALA . 99.4 t -53.23 -62.76 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -41.11 -25.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.696 HD22 ' HB2' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -90.83 -47.92 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.98 HG13 ' O ' ' A' ' 21' ' ' LEU . 1.5 m -57.27 -37.23 55.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.747 ' CZ ' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -77.19 -71.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.406 ' O ' ' CB ' ' A' ' 31' ' ' THR . 39.0 m -39.21 -50.12 1.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.924 ' O ' HG23 ' A' ' 32' ' ' VAL . 68.9 m -61.99 -56.11 22.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.888 HG21 HD13 ' A' ' 50' ' ' LEU . 2.0 m -46.29 -62.98 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.18 -37.49 69.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 27' ' ' THR . 3.5 m -64.13 -36.52 84.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 28' ' ' SER . 45.6 t -60.5 -53.15 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.892 HD21 ' O ' ' A' ' 50' ' ' LEU . 31.0 mt -54.73 -26.54 34.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.22 30.64 4.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.147 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -136.49 101.9 4.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.732 . . . . 0.0 109.603 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -83.27 73.09 10.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.91 97.8 1.68 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -23.34 14.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.551 1.816 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -13.16 58.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -104.46 36.37 2.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.487 HG21 HD21 ' A' ' 50' ' ' LEU . 3.7 p -174.94 152.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.79 -176.21 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.478 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . . . -98.73 -14.65 19.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 p -108.06 20.57 18.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.401 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -83.59 148.78 55.84 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.449 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.49 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -75.03 104.75 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.731 ' HA ' HD12 ' A' ' 50' ' ' LEU . 28.1 p90 -46.68 -24.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -59.64 -22.59 62.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.242 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -90.31 -6.9 54.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.892 ' O ' HD21 ' A' ' 33' ' ' LEU . 39.0 mt -92.13 33.98 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 43.81 28.81 1.23 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.76 ' HE2' HD22 ' A' ' 60' ' ' LEU . 2.4 m-30 -99.21 140.03 33.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -158.74 -66.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.491 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 58.5 m -129.4 -80.79 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.4 -62.2 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.609 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -58.95 -30.73 68.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 54' ' ' SER . . . -69.7 -29.76 67.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.5 t -90.37 -23.93 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -28.51 63.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.76 HD22 ' HE2' ' A' ' 52' ' ' PHE . 4.4 tp -90.73 -28.83 18.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -73.14 -27.01 61.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.445 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -83.66 -23.18 31.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 tt -87.97 -46.41 9.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 64' ' ' LEU . 12.9 mt -59.72 -16.17 25.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -58.53 -17.79 24.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -106.17 21.13 17.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.696 ' HB2' HD22 ' A' ' 24' ' ' LEU . . . -132.7 11.6 4.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 1.093 HG21 HD22 ' A' ' 90' ' ' LEU . 1.1 p -147.49 -53.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.46 3.49 22.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.618 HD21 ' HG2' ' A' ' 93' ' ' GLU . 0.6 OUTLIER -121.92 179.16 4.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.472 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -83.59 3.11 34.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.714 HD23 ' HZ ' ' A' ' 89' ' ' PHE . 0.5 OUTLIER 56.57 156.09 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.54 ' CG ' ' CE1' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.03 152.94 41.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 94.8 p -77.17 -24.36 51.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.093 . . . . 0.0 109.948 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 78' ' ' PHE . 18.7 p -92.75 1.85 57.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 110.42 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.685 ' CD1' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -45.63 -47.49 14.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.731 HG12 ' O ' ' A' ' 77' ' ' VAL . 69.0 t -90.88 36.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -144.36 -43.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.37 -8.39 57.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.838 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -104.53 105.45 50.18 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.563 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -75.02 -31.87 5.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -143.03 171.03 14.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.747 ' HB2' ' CZ ' ' A' ' 26' ' ' ARG . . . -62.91 -52.37 63.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.81 -25.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.447 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -90.18 -32.94 16.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.838 HG23 ' CG ' ' A' ' 80' ' ' HIS . 0.4 OUTLIER -65.21 -49.85 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.958 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.838 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -47.82 -43.54 28.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.2 -54.13 34.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.714 ' HZ ' HD23 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -48.24 -40.78 25.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 0.722 . . . . 0.0 110.985 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.093 HD22 HG21 ' A' ' 68' ' ' THR . 12.0 mt -75.41 -53.71 8.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 95' ' ' GLY . 2.5 t70 -46.16 -52.16 12.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.32 -35.63 74.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.618 ' HG2' HD21 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -71.37 -27.72 63.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.778 HD11 HG22 ' A' ' 68' ' ' THR . 18.4 mt -90.08 -21.21 22.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -155.13 145.28 21.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.92 135.13 16.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.619 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -71.63 63.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.992 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.633 HD12 ' HG2' ' A' ' 6' ' ' ARG . 1.1 pp -61.7 -143.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.633 ' HG2' HD12 ' A' ' 5' ' ' LEU . 7.5 ptt85 -88.07 19.64 3.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.1 -0.46 57.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.503 ' O ' ' CD1' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -87.52 -44.54 11.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.935 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.687 HD13 ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -90.59 -0.45 57.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 12' ' ' LEU . . . -70.56 49.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 9' ' ' LEU . . . 48.08 20.5 1.39 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 8' ' ' ARG . 2.7 mm? 38.39 88.72 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.774 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -178.09 3.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.521 1.8 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -55.98 -37.02 68.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.91 -69.19 0.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -55.73 -42.41 75.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -54.59 -55.55 28.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.7 m -64.37 -45.02 89.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.72 -17.3 55.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -89.3 -45.9 9.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.587 HD11 HG22 ' A' ' 68' ' ' THR . 1.7 mm? -55.7 -55.96 26.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.475 HG22 ' HB2' ' A' ' 87' ' ' ALA . 79.6 t -51.92 -67.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -38.78 -42.39 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.0 tt -70.86 -47.85 57.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 22' ' ' VAL . 9.5 t -51.06 -67.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.691 ' NH1' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -45.14 -68.89 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 31' ' ' THR . 27.4 m -39.13 -48.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.446 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.513 ' O ' HG12 ' A' ' 32' ' ' VAL . 42.2 t -63.26 -57.24 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.751 ' O ' HD12 ' A' ' 33' ' ' LEU . 3.6 m -53.27 -30.01 36.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.351 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.42 -29.46 22.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' THR . 20.8 m -73.68 -52.03 14.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.454 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 28' ' ' SER . 7.3 p -48.99 -51.36 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.751 HD12 ' O ' ' A' ' 29' ' ' THR . 9.1 mt -53.75 -26.45 23.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 31' ' ' THR . . . 98.86 49.12 1.67 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -147.55 167.42 24.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 0.733 . . . . 0.0 109.637 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -144.09 47.34 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.07 80.59 64.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -19.09 18.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -3.51 35.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.518 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -118.55 38.29 3.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 40' ' ' ALA . 67.9 t -156.74 136.36 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.45 166.91 11.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.31 -19.37 28.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -111.9 32.03 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -93.68 159.22 35.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 133.39 16.53 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.55 1.816 . . . . 0.0 111.05 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.61 ' CG ' ' N ' ' A' ' 48' ' ' LYS . 12.4 p90 -70.5 -46.59 63.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 111.049 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.61 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -56.63 -18.66 12.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -77.8 -36.2 50.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.667 ' HB3' HD11 ' A' ' 33' ' ' LEU . 13.9 mt -56.18 -34.62 66.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.54 37.06 0.8 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.642 ' CD2' HG11 ' A' ' 77' ' ' VAL . 5.5 m-85 -97.26 153.14 18.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.784 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.06 -74.84 0.2 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.439 ' O ' HG23 ' A' ' 58' ' ' VAL . 68.5 m -140.41 -52.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.7 -51.12 64.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.45 88.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.495 ' HB1' ' HB ' ' A' ' 77' ' ' VAL . . . -70.14 -36.89 75.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 54' ' ' SER . 3.3 t -70.83 -56.95 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -37.21 18.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.469 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 28.8 tp -62.02 -54.79 36.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.418 ' NH1' HD21 ' A' ' 65' ' ' ASN . 0.1 OUTLIER -47.64 -51.21 22.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -50.67 -30.8 14.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.05 -40.35 13.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.496 ' HB3' HD21 ' A' ' 90' ' ' LEU . 2.8 mt -57.75 -32.19 67.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.418 HD21 ' NH1' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -60.95 -19.99 61.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.67 -15.92 20.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.86 -35.5 74.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.241 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.819 ' CG2' HD23 ' A' ' 90' ' ' LEU . 30.7 p -119.15 -39.35 2.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.7 -2.33 32.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.721 HD11 ' HB3' ' A' ' 93' ' ' GLU . 1.1 pp -111.77 -174.74 2.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.75 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.639 ' O ' HD12 ' A' ' 70' ' ' LEU . 10.7 ptp85 -85.94 -178.55 6.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.543 HD11 HD21 ' A' ' 90' ' ' LEU . 77.3 mt -155.42 158.04 31.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 151.3 39.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.2 t -71.58 -18.32 62.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.03 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 78' ' ' PHE . 24.2 p -89.86 -5.71 56.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.398 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.023 HD23 HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -40.58 -58.44 1.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.335 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.023 HG23 HD23 ' A' ' 76' ' ' LEU . 70.5 t -87.94 38.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.481 ' N ' ' O ' ' A' ' 75' ' ' THR . 7.4 t80 -143.84 -44.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.59 -15.8 36.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.556 ' C ' ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -90.23 127.59 52.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.61 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.01 -47.44 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.539 1.81 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.1 178.43 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.691 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . . . -63.58 -48.43 77.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -38.93 -36.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -75.58 -54.6 6.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.49 HG22 HD11 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -47.28 -46.68 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.475 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -49.3 -46.27 46.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.55 -63.48 4.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.49 ' O ' ' CG ' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -39.47 -39.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 111.012 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.819 HD23 ' CG2' ' A' ' 68' ' ' THR . 2.6 mp -75.76 -49.7 17.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.538 ' HA ' HD21 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -56.86 -35.82 69.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.245 -179.961 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.25 -32.44 55.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.721 ' HB3' HD11 ' A' ' 70' ' ' LEU . 5.7 mm-40 -76.16 -28.42 57.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.538 HD21 ' HA ' ' A' ' 91' ' ' ASP . 4.1 pp -91.07 -23.16 20.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.996 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.47 154.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 110.034 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -109.25 -93.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.602 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -0.04 18.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.71 HD13 ' O ' ' A' ' 5' ' ' LEU . 2.5 tm? -89.39 -6.48 56.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -35.76 79.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -58.64 -43.59 89.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.13 -44.84 15.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' A' ' 11' ' ' GLY . 7.3 tp -54.38 -52.19 62.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.59 5.96 3.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' A' ' 9' ' ' LEU . . . -112.86 -6.64 22.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.472 HD23 ' HD2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -87.51 153.6 53.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.472 ' HD2' HD23 ' A' ' 12' ' ' LEU . 18.2 Cg_endo -75.02 138.68 23.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.436 ' NH1' ' O ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -43.03 -35.72 1.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.53 -55.92 21.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 20' ' ' GLU . 9.5 mm-40 -55.34 -36.19 66.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ttm-85 -68.17 -48.42 65.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.6 m -67.62 -50.16 59.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.77 -15.26 52.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 5.7 tt0 -89.17 -55.27 3.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.743 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -61.85 -38.93 90.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.576 HG12 ' N ' ' A' ' 23' ' ' ARG . 2.4 t -53.36 -74.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.576 ' N ' HG12 ' A' ' 22' ' ' VAL . 1.1 ttt180 -42.02 -33.2 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -70.61 -54.42 12.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 21' ' ' LEU . 90.9 t -47.79 -47.09 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -53.91 -61.75 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 m -60.42 -22.83 63.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.572 ' O ' HD23 ' A' ' 63' ' ' LEU . 1.2 p -73.41 -36.66 66.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.009 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.661 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 2.6 m -76.37 -51.68 11.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.417 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.48 -32.49 3.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.5 m -58.56 -34.1 70.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.388 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.781 HG11 ' HB1' ' A' ' 56' ' ' ALA . 13.2 t -65.3 -20.09 26.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.591 HD11 ' O ' ' A' ' 50' ' ' LEU . 54.9 mt -102.1 28.05 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 38.59 47.0 2.21 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -131.9 159.39 38.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 109.606 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.33 64.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -165.75 112.06 0.77 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -18.52 18.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -19.28 43.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.58 31.73 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -176.14 157.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.5 178.96 4.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.24 -28.24 21.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.3 p -115.0 41.22 2.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.424 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.48 157.26 34.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 111.68 3.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.78 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.454 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 8.8 p90 -58.67 -14.66 8.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.04 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.47 -10.05 59.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -95.72 -28.14 14.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.958 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.597 HD11 ' CD2' ' A' ' 52' ' ' PHE . 4.1 pp -79.72 -16.37 55.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.436 ' O ' HD12 ' A' ' 50' ' ' LEU . . . 93.76 115.92 2.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.661 ' CZ ' HG23 ' A' ' 29' ' ' THR . 0.1 OUTLIER -156.07 144.65 20.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.754 . . . . 0.0 111.032 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.543 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 65.5 m-20 -153.38 -175.16 5.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -59.31 -15.5 16.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.005 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.55 -58.0 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.781 ' HB1' HG11 ' A' ' 32' ' ' VAL . . . -66.21 -36.46 83.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.9 ' HB1' HG11 ' A' ' 77' ' ' VAL . . . -65.8 -37.04 85.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 t -75.17 -32.67 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -72.09 -24.91 61.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.481 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 10.4 tp -77.88 -57.78 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.842 HH21 ' HB3' ' A' ' 74' ' ' SER . 5.7 tmm_? -53.45 -22.96 8.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -83.22 -27.38 30.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 28' ' ' SER . 30.5 tp -89.1 -41.27 12.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.591 ' HB3' HD13 ' A' ' 72' ' ' LEU . 3.8 mt -50.97 -22.54 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 61' ' ' ARG . 3.2 m-80 -53.61 -32.58 51.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.69 18.73 6.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.485 ' CB ' HD21 ' A' ' 24' ' ' LEU . . . -115.96 -9.81 11.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.177 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.945 HG21 HD22 ' A' ' 90' ' ' LEU . 1.3 p -150.09 -45.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.421 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 123.83 -17.94 7.63 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.609 HD13 ' OE1' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -93.74 -169.31 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.779 . . . . 0.0 109.327 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.609 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -102.81 0.32 32.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.153 . . . . 0.0 110.303 179.957 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.806 HD11 HD21 ' A' ' 90' ' ' LEU . 0.3 OUTLIER 48.85 167.32 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.401 ' HG2' ' CB ' ' A' ' 76' ' ' LEU . 18.3 Cg_endo -74.99 148.66 35.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.809 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.842 ' HB3' HH21 ' A' ' 61' ' ' ARG . 26.8 p -81.49 -20.99 39.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.1 p -92.8 3.64 55.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.427 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.7 HD13 HD23 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -64.18 -59.92 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.9 HG11 ' HB1' ' A' ' 57' ' ' ALA . 2.6 p -39.48 -29.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.445 ' N ' ' C ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -94.93 -44.14 7.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.438 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 9.9 t0 -65.36 -19.8 66.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.718 ' CG ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -102.7 110.38 63.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.562 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.462 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.02 -27.47 9.96 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.449 1.763 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 0.4 OUTLIER -147.13 170.92 16.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.47 -45.17 95.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.94 -29.77 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.462 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -73.63 -60.57 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.718 HG23 ' CG ' ' A' ' 80' ' ' HIS . 63.4 t -39.85 -49.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.413 ' HB2' HG22 ' A' ' 22' ' ' VAL . . . -45.87 -50.27 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -58.67 -68.43 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' GLY . 0.3 OUTLIER -37.18 -33.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 0.74 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.945 HD22 HG21 ' A' ' 68' ' ' THR . 19.5 mt -85.28 -52.16 6.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.83 -33.75 57.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.88 72.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.609 ' OE1' HD13 ' A' ' 70' ' ' LEU . 21.9 tt0 -76.33 -24.4 54.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.606 HD11 HG22 ' A' ' 68' ' ' THR . 14.5 mt -90.01 -22.12 22.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.436 ' O ' ' NH1' ' A' ' 14' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -81.97 88.06 6.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 110.007 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -47.53 168.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.586 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.5 mmt -46.05 99.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.625 HD13 ' H ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -69.6 -8.63 49.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.499 ' N ' HD22 ' A' ' 5' ' ' LEU . 8.4 ttt180 -89.77 -25.9 20.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.734 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 5.9 m-20 -75.93 -20.07 58.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -55.23 -48.32 74.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 11' ' ' GLY . 26.6 mt -61.6 -20.29 63.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.734 ' HB3' ' O ' ' A' ' 7' ' ' ASP . . . -68.36 61.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . 47.8 21.81 1.69 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.425 HD12 ' C ' ' A' ' 11' ' ' GLY . 2.4 mp 52.59 85.28 0.19 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -175.55 2.41 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -43.77 -60.07 1.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.16 -73.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' GLU . 20.3 tp10 -42.75 -41.92 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.352 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.483 ' HD3' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -60.52 -51.17 70.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.942 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.6 m -64.44 -45.34 87.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.392 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.67 -23.69 65.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 16' ' ' GLU . 3.6 tt0 -80.76 -48.12 12.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.709 HD22 ' CD1' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -63.02 -57.05 11.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 21' ' ' LEU . 3.4 t -40.0 -57.52 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -56.61 -38.64 72.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.499 HD22 ' CB ' ' A' ' 67' ' ' ALA . 8.3 tt -67.6 -60.78 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.695 HG11 HG11 ' A' ' 86' ' ' VAL . 46.3 t -39.17 -64.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.7 -72.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 m -48.43 -51.75 25.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.432 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.1 t -46.17 -46.95 17.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.892 ' O ' HG12 ' A' ' 32' ' ' VAL . 1.3 m -63.53 -72.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.427 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.61 -46.6 5.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.468 HG23 ' OD1' ' A' ' 36' ' ' ASP . 9.1 m -51.33 -41.02 60.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.426 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.892 HG12 ' O ' ' A' ' 29' ' ' THR . 0.8 OUTLIER -57.41 -25.39 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.867 HD13 HG13 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -98.09 32.3 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.02 22.11 5.99 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.597 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 62.3 m170 -79.66 -101.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 0.0 109.614 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.597 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 6.4 m-20 90.17 42.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -164.04 86.26 1.2 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' VAL . 18.1 Cg_endo -75.03 -15.0 20.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.767 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 38' ' ' PRO . 29.4 pttt -40.29 -29.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' PRO . . . -114.69 54.19 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -160.05 150.37 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 -99.51 167.59 10.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.99 -7.22 52.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -130.54 32.27 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.383 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -89.82 160.82 40.28 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 107.95 2.6 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 1.017 ' CZ ' ' HB2' ' A' ' 83' ' ' ALA . 1.8 m-85 -68.33 -35.89 78.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -19.19 7.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.77 -27.37 20.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.4 mt -50.34 -41.13 50.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 132.93 55.27 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.68 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 4.7 m-85 -119.73 152.1 37.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 0.781 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -157.38 -65.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 58' ' ' VAL . 49.5 m -146.05 -63.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.974 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 55' ' ' LEU . 9.2 mt -56.58 -51.96 66.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.465 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -65.76 -28.68 69.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.55 -32.28 60.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 54' ' ' SER . 3.1 t -84.0 -25.31 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.467 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . 1.5 ttt180 -75.57 -27.73 58.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.68 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 32.3 tp -75.5 -56.38 4.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 71' ' ' ARG . 6.1 ttm180 -46.65 -53.5 11.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -53.99 -23.59 13.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -89.91 -59.25 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.647 ' HB3' HD11 ' A' ' 72' ' ' LEU . 9.7 mt -48.75 -23.43 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 61' ' ' ARG . 0.8 OUTLIER -55.31 -29.68 58.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.59 3.05 26.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.499 ' CB ' HD22 ' A' ' 24' ' ' LEU . . . -122.23 2.92 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.953 ' CG2' HD21 ' A' ' 72' ' ' LEU . 24.7 p -130.65 -68.02 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.37 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.93 -12.68 6.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 65' ' ' ASN . 0.5 OUTLIER -116.43 -170.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 179.941 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.5 ' O ' ' CD ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -88.39 4.95 44.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.306 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.953 HD21 ' CG2' ' A' ' 68' ' ' THR . 91.5 mt 55.9 162.12 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.076 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.556 ' CG ' ' CE1' ' A' ' 89' ' ' PHE . 18.1 Cg_endo -75.05 132.42 15.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.2 p -55.18 -22.09 16.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 78' ' ' PHE . 59.2 p -87.77 -1.37 57.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.822 ' CD1' HD13 ' A' ' 72' ' ' LEU . 4.5 tt -43.36 -57.33 3.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 77' ' ' VAL . 95.3 t -89.11 24.24 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -138.61 6.97 2.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -147.61 18.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.901 ' CB ' HG23 ' A' ' 86' ' ' VAL . 3.2 p-80 -119.99 105.3 42.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.593 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.431 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 18.3 Cg_endo -75.02 -11.95 21.46 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.454 1.766 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 81' ' ' PRO . 26.6 m120 -162.14 -176.57 5.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 1.017 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . . . -81.82 -46.36 14.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -14.37 20.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.8 -40.58 12.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.901 HG23 ' CB ' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -58.41 -58.67 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.636 ' N ' HG12 ' A' ' 86' ' ' VAL . . . -46.29 -37.44 7.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.64 -40.91 96.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.785 ' CE2' HD23 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -61.35 -51.28 69.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 0.78 . . . . 0.0 110.998 -179.949 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.785 HD23 ' CE2' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -64.73 -48.43 74.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 95' ' ' GLY . 21.8 t70 -40.94 -57.47 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.68 -39.01 57.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 90' ' ' LEU . 3.7 tt0 -71.88 -25.53 61.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 mt -88.26 -22.59 23.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 91' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.13 -62.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 0.0 109.978 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 176.55 -177.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.598 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.9 mmt -63.01 95.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.03 -44.06 41.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.56 -53.49 8.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' GLY . 16.6 t0 -63.64 -48.12 78.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -45.81 -53.72 9.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.48 ' HA ' HD23 ' A' ' 9' ' ' LEU . 13.1 mt -51.12 -49.02 61.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.48 17.81 5.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 7' ' ' ASP . . . -147.96 29.03 1.41 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.69 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -99.71 109.22 54.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -165.38 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.477 1.777 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -62.86 -43.16 99.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.88 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -38.92 -57.39 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.539 HH12 HD21 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -51.1 -54.42 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 m -58.21 -39.32 78.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.37 -17.06 60.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.8 tt0 -82.48 -43.62 17.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.1 mm? -54.93 -46.48 74.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.521 ' CG2' ' CB ' ' A' ' 87' ' ' ALA . 2.6 t -61.27 -68.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.453 ' N ' HG12 ' A' ' 22' ' ' VAL . 2.3 mmt180 -47.23 -33.21 5.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.453 HD23 ' N ' ' A' ' 25' ' ' VAL . 2.1 tt -66.57 -49.77 65.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 21' ' ' LEU . 46.7 t -55.09 -34.85 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.902 HH21 ' CB ' ' A' ' 43' ' ' ALA . 78.9 mmt-85 -58.32 -63.34 1.31 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -66.64 -44.46 81.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 t -53.15 -42.22 65.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.818 ' O ' HG12 ' A' ' 32' ' ' VAL . 75.9 m -77.78 -57.19 3.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.02 -26.18 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.435 ' N ' ' C ' ' A' ' 29' ' ' THR . 89.1 m -83.81 -38.92 20.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.391 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.85 HG21 ' HB2' ' A' ' 60' ' ' LEU . 1.4 p -56.16 -25.91 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.851 HD11 ' O ' ' A' ' 51' ' ' GLY . 4.0 mm? -91.04 10.1 28.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 65.86 54.72 23.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -147.33 -177.22 5.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.585 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -161.25 70.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -169.8 111.78 0.48 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -12.05 21.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.07 -6.7 44.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.93 37.94 2.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -176.58 160.78 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.56 173.84 8.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.902 ' CB ' HH21 ' A' ' 26' ' ' ARG . . . -80.53 -31.61 36.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.482 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 2.4 p -112.42 40.47 2.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 0.0 110.363 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.43 152.46 37.8 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.443 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.45 ' HG2' ' CG ' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -74.97 120.04 5.91 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.536 1.809 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.613 ' CD1' ' CE1' ' A' ' 80' ' ' HIS . 25.7 p90 -48.66 -47.91 40.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.515 ' N ' ' CD2' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -47.74 -55.89 8.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.45 ' CG ' ' HG2' ' A' ' 46' ' ' PRO . 15.5 mm-40 -44.1 -39.71 4.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.675 ' O ' HD12 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -93.16 45.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.851 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 38.58 92.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.721 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -162.59 124.9 2.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 110.976 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.638 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -170.55 126.74 0.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 58' ' ' VAL . 3.4 m 32.72 -88.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.638 ' N ' ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -34.5 -78.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.96 -36.11 59.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.82 ' HB1' ' HB ' ' A' ' 77' ' ' VAL . . . -60.02 -27.05 66.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 54' ' ' SER . 1.1 t -83.99 -57.61 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.434 ' N ' HG12 ' A' ' 58' ' ' VAL . 12.7 ttt180 -38.21 -30.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.85 ' HB2' HG21 ' A' ' 32' ' ' VAL . 1.8 tp -85.38 -50.72 7.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -49.21 -28.2 4.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.257 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.443 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -71.54 -33.08 68.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -87.63 -40.78 13.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.528 HD22 ' CD2' ' A' ' 90' ' ' LEU . 7.6 mt -50.18 -22.97 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -57.96 -20.48 38.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.03 -18.46 21.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.19 -42.95 99.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.464 ' HB ' HD23 ' A' ' 70' ' ' LEU . 3.0 p -111.68 -30.97 7.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.2 4.03 53.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.922 HD11 ' HG2' ' A' ' 93' ' ' GLU . 0.6 OUTLIER -125.49 -173.49 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.424 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 3.8 mtt180 -85.39 167.33 15.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.504 HD21 ' HG ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -153.15 162.79 25.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.944 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.987 ' O ' HD23 ' A' ' 76' ' ' LEU . 18.3 Cg_endo -75.0 142.29 27.67 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.495 ' OG ' HG22 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -75.58 -16.16 60.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.057 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 78' ' ' PHE . 67.1 p -89.71 -8.05 53.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.364 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.987 HD23 ' O ' ' A' ' 73' ' ' PRO . 1.4 pp -46.81 -42.01 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.82 ' HB ' ' HB1' ' A' ' 57' ' ' ALA . 20.6 t -87.08 38.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' THR . 2.8 t80 -138.74 -44.21 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.31 6.96 44.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.613 ' CE1' ' CD1' ' A' ' 47' ' ' PHE . 5.5 p-80 -96.13 126.64 43.57 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.478 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.4 Cg_endo -75.04 -27.26 10.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.482 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -165.01 160.48 19.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' ALA . . . -46.84 -48.7 20.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -38.88 -29.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.99 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.478 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -77.5 -53.75 7.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.551 HG23 ' CD2' ' A' ' 80' ' ' HIS . 55.0 t -42.32 -49.29 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.521 ' CB ' ' CG2' ' A' ' 22' ' ' VAL . . . -47.0 -42.26 17.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -67.27 -64.59 3.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -39.83 -30.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.75 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.528 ' CD2' HD22 ' A' ' 64' ' ' LEU . 6.7 mp -84.18 -46.79 11.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.761 ' HA ' HD23 ' A' ' 94' ' ' LEU . 2.1 t70 -61.44 -39.56 91.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.22 -28.28 61.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.922 ' HG2' HD11 ' A' ' 70' ' ' LEU . 10.9 tt0 -84.52 -23.98 29.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.761 HD23 ' HA ' ' A' ' 91' ' ' ASP . 0.3 OUTLIER -89.96 -26.38 20.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.993 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.527 ' H2 ' ' HG3' ' A' ' 23' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m -137.59 172.57 12.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.044 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 5' ' ' LEU . 2.7 p80 -76.87 147.98 36.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.617 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.505 ' O ' ' CE ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -59.64 79.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 -179.968 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.733 HD13 ' N ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -76.63 -122.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.733 ' N ' HD13 ' A' ' 5' ' ' LEU . 25.4 mmt-85 -86.93 65.39 8.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 10' ' ' ALA . 5.4 p-10 -38.29 -29.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 6' ' ' ARG . 0.9 OUTLIER -47.56 -22.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.415 ' C ' ' H ' ' A' ' 11' ' ' GLY . 1.3 mm? -89.1 26.38 1.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 7' ' ' ASP . . . -74.73 5.79 4.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 12' ' ' LEU . . . -91.75 -4.87 67.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.943 HD23 ' CB ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -47.78 174.92 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 12' ' ' LEU . 18.2 Cg_endo -75.04 169.46 22.56 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.852 HH21 HG21 ' A' ' 18' ' ' THR . 0.2 OUTLIER -39.49 -35.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.99 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.943 ' CB ' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -57.9 -33.25 68.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.661 HH21 ' HG ' ' A' ' 21' ' ' LEU . 2.2 tpt180 -59.36 -52.82 63.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.852 HG21 HH21 ' A' ' 14' ' ' ARG . 95.0 m -65.35 -48.24 73.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.85 -18.27 63.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 2.1 tp10 -89.95 -43.75 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.661 ' HG ' HH21 ' A' ' 17' ' ' ARG . 2.7 mt -65.82 -27.41 68.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.25 -64.12 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.604 ' CZ ' HG21 ' A' ' 27' ' ' THR . 4.1 tmt_? -54.78 -36.11 64.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.691 HD23 ' N ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -63.3 -53.34 54.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.932 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.752 HG22 HD21 ' A' ' 64' ' ' LEU . 2.1 t -51.42 -42.37 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.6 mtm105 -55.65 -60.6 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.604 HG21 ' CZ ' ' A' ' 23' ' ' ARG . 2.0 p -62.57 -49.14 76.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.437 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.609 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.4 t -47.9 -50.89 25.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.988 ' CG2' HD13 ' A' ' 50' ' ' LEU . 27.3 m -60.9 -61.69 2.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 110.442 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.93 -33.11 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 m -72.29 -38.88 68.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.639 HG13 ' HB3' ' A' ' 59' ' ' ARG . 53.3 t -56.22 -37.34 49.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.663 HD23 ' CE1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -90.07 13.76 14.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.23 -43.73 3.23 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.479 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.9 p80 -170.51 -173.02 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.777 . . . . 0.0 109.562 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER 157.2 -26.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 7.9 t0 81.61 125.29 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.05 19.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.441 1.758 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -73.42 -10.31 59.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.35 -19.94 18.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.423 HG12 ' H ' ' A' ' 43' ' ' ALA . 30.5 t -87.86 124.63 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.725 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 8.2 mtm180 -100.66 2.59 41.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 86.62 -44.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.458 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 1.2 p -82.4 8.69 10.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.409 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.952 HG23 ' H ' ' A' ' 47' ' ' PHE . 1.3 t -51.45 152.8 4.22 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.382 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.531 ' HD2' ' OG1' ' A' ' 45' ' ' THR . 18.4 Cg_endo -74.95 6.62 3.27 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.466 1.771 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.952 ' H ' HG23 ' A' ' 45' ' ' THR . 2.4 t80 63.95 -61.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 46' ' ' PRO . 7.3 mttt -42.08 -28.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -54.54 -31.23 56.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.988 HD13 ' CG2' ' A' ' 29' ' ' THR . 4.4 mt -68.77 -22.13 64.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.67 -0.01 76.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.11 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.663 ' CE1' HD23 ' A' ' 33' ' ' LEU . 1.9 m-85 -46.31 152.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -150.1 -83.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.4 m -126.36 -60.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.46 -53.06 61.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.612 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -60.03 -42.51 94.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.699 ' CB ' HG11 ' A' ' 77' ' ' VAL . . . -65.82 -23.92 66.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.17 -38.04 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.639 ' HB3' HG13 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -64.5 -38.54 91.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.513 ' HB2' HG21 ' A' ' 32' ' ' VAL . 5.7 tp -68.87 -30.47 68.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.457 ' NH1' ' O ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -70.15 -48.65 56.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -57.39 -27.11 62.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.42 ' C ' ' N ' ' A' ' 65' ' ' ASN . 0.2 OUTLIER -89.94 -59.72 2.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.355 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.069 HD22 HD21 ' A' ' 90' ' ' LEU . 13.7 mt -43.54 -27.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 69' ' ' GLY . 0.8 OUTLIER -53.1 -40.73 64.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -78.22 -20.45 51.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.585 ' HB1' ' CD2' ' A' ' 21' ' ' LEU . . . -73.42 -32.66 64.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.837 HG23 HD23 ' A' ' 90' ' ' LEU . 20.3 p -109.08 -61.12 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.442 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 65' ' ' ASN . . . 134.55 -15.46 4.4 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.85 -169.92 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.562 ' O ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -87.33 1.06 54.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.34 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.931 HD13 ' CD1' ' A' ' 76' ' ' LEU . 13.1 mt 50.51 166.09 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.361 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 72' ' ' LEU . 18.1 Cg_endo -75.0 137.02 21.17 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.7 p -64.08 -16.42 61.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.514 ' CG2' ' HB2' ' A' ' 79' ' ' ASP . 0.9 OUTLIER -89.29 -8.2 53.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.931 ' CD1' HD13 ' A' ' 72' ' ' LEU . 9.0 tt -40.87 -54.14 2.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.792 HG12 ' O ' ' A' ' 77' ' ' VAL . 52.5 t -84.83 43.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.3 OUTLIER -150.02 -48.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.514 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 1.6 t70 -86.57 -0.82 56.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 80' ' ' HIS . 1.5 p-80 -101.04 107.72 51.23 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.554 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 85' ' ' ALA . 18.3 Cg_endo -74.99 -31.2 6.41 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -143.33 175.25 10.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.94 -50.56 65.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.533 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 1.0 OUTLIER -41.23 -45.6 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.437 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . . . -60.47 -59.51 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.493 ' CG1' HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -44.61 -43.41 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.961 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 84' ' ' SER . . . -49.13 -57.06 7.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.86 -56.8 18.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.22 -39.61 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.784 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.069 HD21 HD22 ' A' ' 64' ' ' LEU . 4.2 mp -70.65 -42.68 70.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.502 ' OD1' ' CG ' ' A' ' 14' ' ' ARG . 1.7 t70 -61.28 -46.77 88.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.39 -34.18 72.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -75.73 -25.57 56.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.535 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.7 mt -84.74 -26.69 27.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.998 . . . . . . . . 0 0 . 1 stop_ save_