data_1uk5_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 1uk5 _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 ' 26' ' ' HIS . . . . . 0.48 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.6 t-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.3 Cg_endo -75.03 -36.63 2.42 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.463 1.77 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.48 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -60.1 -26.72 63.9 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 32' ' ' VAL . 93.6 t -86.81 -58.47 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -43.35 -35.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -53.85 -42.25 68.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' VAL . 0.8 OUTLIER -79.33 -46.31 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 68.6 mt-10 -54.6 -32.3 58.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.84 -43.73 87.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 38' ' ' LYS . 6.8 mt -69.93 -56.21 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.406 ' CD2' ' HD3' ' A' ' 93' ' ' LYS . 7.8 mt -43.09 -50.6 6.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.74 -39.39 3.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 35' ' ' ILE . 4.6 mttp -74.31 -48.04 30.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 42' ' ' LEU . 95.3 t -42.02 -53.06 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -39.22 -41.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.87 -45.24 93.12 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.116 . . . . 0.0 111.053 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 39' ' ' VAL . 82.1 mt -65.06 -26.85 68.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' CG ' HD12 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -72.74 -51.55 18.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -47.11 -35.34 6.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.272 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -66.62 -46.47 75.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.459 ' CG2' ' HG ' ' A' ' 101' ' ' LEU . 24.2 t -58.9 -61.96 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -46.66 -27.16 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.67 40.51 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.583 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 45.3 t80 -104.29 171.63 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.583 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 20.7 tt0 -170.14 132.11 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 153.9 -128.19 2.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.414 ' C ' ' CB ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -149.12 -171.8 3.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.593 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 8.5 mttt -86.69 -11.6 50.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.1 p -97.7 -40.45 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.411 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -40.11 147.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 59' ' ' LEU . 2.6 tmtt? -66.65 -49.12 67.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.13 -45.18 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.593 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 75.9 t80 -63.9 -42.34 97.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 56' ' ' LYS . 49.7 mt -56.06 -41.45 75.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.593 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 37.0 mtp -58.37 -52.51 65.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 111.045 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.3 mt -67.79 -42.85 86.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -54.01 -55.65 25.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 4.1 pt-20 -63.61 -43.91 95.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 60' ' ' MET . 1.8 m-85 -56.9 -42.14 79.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 53.9 mt -59.75 -57.38 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.9 m -55.6 -45.22 77.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -41.01 -42.6 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.367 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -70.73 -42.08 71.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.281 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.466 ' CD2' ' HB ' ' A' ' 94' ' ' VAL . 19.2 mt -49.66 -59.91 3.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 mt -50.11 -37.03 32.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.27 -28.21 63.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 69' ' ' LEU . 68.9 mt -77.18 -34.93 56.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.72 -39.19 37.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.0 t -47.48 -24.4 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.954 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.451 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 76.3 t -70.6 130.37 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -108.4 103.77 51.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 79' ' ' GLY . 18.3 Cg_endo -75.04 -28.29 9.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.81 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 69.0 -59.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' PRO . . . -177.73 40.16 0.09 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.473 1.108 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.07 115.45 25.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.31 -54.71 43.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.9 -36.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.3 t -84.18 -56.85 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -46.3 -56.37 5.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.556 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 4.5 pt20 -49.5 -49.27 46.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.556 ' N ' ' CG ' ' A' ' 85' ' ' GLN . . . -59.94 -46.62 88.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.451 ' NE ' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -58.16 -61.5 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -27.56 29.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -76.42 -59.98 2.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -51.88 -45.36 55.82 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.7 t -64.16 -48.94 83.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -59.73 -33.94 72.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.406 ' HD3' ' CD2' ' A' ' 36' ' ' LEU . 2.0 tttt -64.06 -68.32 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.466 ' HB ' ' CD2' ' A' ' 69' ' ' LEU . 47.2 t -42.8 -52.39 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -44.49 -55.11 5.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 21.3 m -53.08 -34.54 57.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.414 HD12 ' CG ' ' A' ' 43' ' ' GLU . 31.2 mt -68.91 -42.16 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.95 -48.08 80.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.89 -28.88 69.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.417 ' NZ ' HG13 ' A' ' 46' ' ' VAL . 19.0 ttpp -79.11 -46.0 18.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.57 HD11 ' CE1' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -49.12 -68.67 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 103' ' ' GLN . 8.4 pt-20 -39.31 -40.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 102' ' ' GLU . 4.2 mm-40 -70.42 -47.72 59.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 101' ' ' LEU . 2.8 mmpt? -54.26 -34.87 61.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.414 ' CB ' ' C ' ' A' ' 52' ' ' LYS . . . -74.83 -40.88 60.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.5 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.499 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.7 t-80 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 26' ' ' HIS . 18.3 Cg_endo -75.07 -35.04 3.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.946 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.499 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -50.61 -37.32 33.47 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.406 ' O ' HG22 ' A' ' 32' ' ' VAL . 22.0 t -78.86 -59.36 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mt -44.67 -35.68 2.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -48.48 -28.57 3.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.467 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -93.58 -47.66 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.467 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 13.4 mt-10 -48.49 -35.23 12.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.21 73.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.477 ' CG2' ' HB3' ' A' ' 68' ' ' GLU . 9.8 mt -82.49 -55.54 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -42.09 -48.83 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.59 -39.91 17.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 41' ' ' GLY . 3.3 mtpp -76.29 -48.64 19.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.438 HG22 ' CG2' ' A' ' 94' ' ' VAL . 74.5 t -42.86 -49.67 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -47.51 -38.54 14.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.345 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . -67.08 -29.73 74.92 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 39' ' ' VAL . 85.8 mt -82.95 -20.6 34.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.445 ' OE2' ' NZ ' ' A' ' 100' ' ' LYS . 1.4 tm-20 -74.06 -57.82 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.478 ' CG ' ' N ' ' A' ' 45' ' ' ALA . 14.5 pt20 -44.89 -46.08 10.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.478 ' N ' ' CG ' ' A' ' 44' ' ' GLN . . . -54.52 -45.05 73.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 101' ' ' LEU . 29.2 t -62.43 -67.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.26 -27.35 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -124.49 45.36 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' ALA . 45.2 t80 -99.31 157.73 16.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -142.45 129.27 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.78 -161.09 24.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.417 ' C ' ' CB ' ' A' ' 105' ' ' ALA . 3.3 mmtt -121.88 -164.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.747 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.546 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 8.8 mttp -82.18 4.91 21.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.8 p -104.94 -47.11 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.442 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.03 134.25 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.73 -37.93 60.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -49.12 -48.9 44.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.57 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 82.5 t80 -55.36 -46.03 76.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.408 HD11 ' N ' ' A' ' 59' ' ' LEU . 5.7 mp -62.43 -51.3 68.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.516 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 18.0 mtp -47.33 -53.73 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.85 -41.62 90.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -52.41 -60.22 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 4.1 pt-20 -60.82 -45.19 95.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.516 ' CD2' ' O ' ' A' ' 60' ' ' MET . 1.2 m-85 -52.57 -43.53 65.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.472 ' CD2' HG22 ' A' ' 97' ' ' ILE . 68.6 mt -61.16 -63.09 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.9 m -47.96 -42.35 27.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -46.01 -37.96 7.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.477 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 41.6 mm-40 -74.31 -32.75 62.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.477 ' CD2' ' HB ' ' A' ' 94' ' ' VAL . 66.9 mt -61.58 -54.98 35.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.04 -34.62 66.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.44 -25.51 62.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.4 mt -82.65 -32.09 28.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.49 -30.55 64.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.2 t -64.19 -17.81 63.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 68.9 t -80.12 123.66 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.28 107.59 59.76 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.479 ' CG ' ' HG2' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.07 -19.95 17.19 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 77' ' ' PRO . 3.3 mt-10 68.52 -62.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' PRO . . . 179.72 36.23 0.07 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.427 ' NH1' ' CD2' ' A' ' 26' ' ' HIS . 2.5 mtp180 -114.85 115.8 27.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 0.734 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.86 -50.84 69.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -43.01 -32.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 85' ' ' GLN . 17.0 t -94.78 -62.82 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.479 ' HG2' ' CG ' ' A' ' 77' ' ' PRO . 2.6 mtt180 -37.72 -30.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.452 ' NE2' HH12 ' A' ' 88' ' ' ARG . 2.5 tp60 -75.25 -74.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.41 -29.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.445 ' N ' ' C ' ' A' ' 85' ' ' GLN . 2.9 ttt-85 -75.41 -63.92 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.452 HH12 ' NE2' ' A' ' 85' ' ' GLN . 0.4 OUTLIER -56.73 -26.2 56.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -75.1 -41.65 58.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.59 -48.39 68.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.14 -43.13 92.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.477 0.751 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -64.79 -33.12 75.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -64.54 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.477 ' HB ' ' CD2' ' A' ' 69' ' ' LEU . 21.2 t -46.37 -57.37 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -38.86 -59.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.3 m -52.21 -46.8 65.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.404 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.472 HG22 ' CD2' ' A' ' 65' ' ' LEU . 67.0 mt -56.53 -45.11 82.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 65' ' ' LEU . 6.3 mt -64.98 -31.3 72.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -77.03 -18.29 58.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.445 ' NZ ' ' OE2' ' A' ' 43' ' ' GLU . 24.6 ttpt -84.28 -53.69 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.466 ' HB2' ' CG2' ' A' ' 46' ' ' VAL . 15.3 tp -48.77 -49.85 36.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 101' ' ' LEU . 30.7 mt-10 -37.79 -58.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.26 -41.0 94.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.258 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -55.17 -31.45 61.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.57 ' HB1' ' CE1' ' A' ' 58' ' ' TYR . . . -97.26 27.73 4.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.488 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 49.0 t-80 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.414 ' HD2' ' ND1' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.05 -34.44 3.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.488 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -55.43 -32.38 57.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.042 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.8 t -81.23 -58.6 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 mt -43.78 -36.04 2.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -47.72 -33.04 6.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.469 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -87.52 -47.15 15.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.469 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 17.8 mt-10 -55.15 -41.89 72.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.4 -32.44 68.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.47 ' CG2' ' HB3' ' A' ' 68' ' ' GLU . 20.8 mt -81.74 -54.6 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 mt -43.52 -38.81 3.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.2 -46.9 82.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -66.5 -40.26 89.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.466 ' CG1' HD12 ' A' ' 97' ' ' ILE . 73.0 t -50.43 -45.25 25.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -46.62 -36.66 7.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.49 -30.0 62.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.56 1.162 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.464 ' CD1' ' OE2' ' A' ' 68' ' ' GLU . 52.3 mt -85.4 -25.44 27.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.498 ' OE2' ' CE ' ' A' ' 100' ' ' LYS . 2.9 tm-20 -68.96 -46.69 67.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.43 ' CG ' ' N ' ' A' ' 45' ' ' ALA . 6.5 pt20 -56.03 -42.82 77.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' A' ' 44' ' ' GLN . . . -56.63 -36.63 69.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.475 ' CG2' ' HG ' ' A' ' 101' ' ' LEU . 9.9 t -68.87 -67.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -49.27 -22.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.0 t -118.86 37.19 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.58 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 58.7 t80 -97.89 172.16 7.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.58 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 4.7 pt-20 -165.18 125.59 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 147.22 -139.66 8.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.15 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.474 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -143.31 -172.69 3.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.589 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 2.9 mttp -83.26 3.35 31.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.9 p -109.28 -30.99 7.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.415 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -56.29 132.86 51.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -52.69 -39.32 61.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.25 -56.34 6.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.589 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 69.1 t80 -49.57 -49.18 47.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.5 mp -56.42 -53.06 61.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.457 ' O ' ' CG ' ' A' ' 64' ' ' TYR . 3.9 ttp -46.92 -31.5 3.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.481 HG21 ' CD1' ' A' ' 65' ' ' LEU . 97.2 mt -87.49 -54.96 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -39.33 -39.51 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 3.1 pt-20 -71.87 -44.18 64.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.468 ' N ' ' O ' ' A' ' 61' ' ' ILE . 17.0 m-30 -58.1 -40.43 81.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.481 ' CD1' HG21 ' A' ' 61' ' ' ILE . 6.7 mp -65.31 -78.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.45 HG23 ' CD2' ' A' ' 70' ' ' LEU . 1.8 m -36.98 -40.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.458 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.2 OUTLIER -37.45 -46.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.47 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 0.9 OUTLIER -68.14 -50.04 57.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 66' ' ' THR . 63.6 mt -42.88 -46.51 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.45 ' CD2' HG23 ' A' ' 66' ' ' THR . 4.4 mm? -63.45 -41.69 98.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' GLU . . . -67.91 -33.15 74.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' GLU . 24.0 mt -67.12 -34.79 78.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -76.74 -36.74 56.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.4 t -55.06 -19.07 6.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.018 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.4 t -82.56 137.83 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -127.13 112.7 21.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.02 -33.28 4.68 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.466 1.772 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 67.11 21.68 10.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.45 -29.26 6.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -46.11 113.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.9 -52.08 47.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -48.67 -36.02 15.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.402 ' CG1' ' HB3' ' A' ' 77' ' ' PRO . 92.3 t -83.25 -51.17 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -50.57 -43.48 56.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -64.05 -60.81 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' ARG . . . -41.59 -62.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -37.91 -52.72 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.285 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.71 -64.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -47.56 -56.49 7.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -49.72 -49.33 34.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.3 t -64.17 -56.65 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -49.97 -37.84 34.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -75.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.462 HG13 ' CD2' ' A' ' 98' ' ' LEU . 22.3 t -42.09 -45.49 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -48.8 -58.8 4.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.3 m -50.13 -38.28 38.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.388 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.466 HD12 ' CG1' ' A' ' 39' ' ' VAL . 13.2 mt -63.67 -46.46 94.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.462 ' CD2' HG13 ' A' ' 94' ' ' VAL . 1.0 OUTLIER -53.68 -47.02 70.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.81 -24.86 66.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.498 ' CE ' ' OE2' ' A' ' 43' ' ' GLU . 13.0 ttpt -75.65 -58.92 2.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.586 HD13 ' CD1' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -39.84 -48.01 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.364 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 105' ' ' ALA . 3.6 mt-10 -47.84 -78.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.44 -38.34 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 2.8 mmpt? -57.7 -43.03 84.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 52' ' ' LYS . . . -74.81 -44.63 48.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.092 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.406 ' HB2' ' CE ' ' A' ' 53' ' ' LYS . 23.3 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.959 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.485 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 55.7 t-80 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.04 -33.84 4.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.485 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -56.12 -30.41 57.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 32' ' ' VAL . 39.6 t -82.95 -57.63 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mt -43.64 -34.82 1.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -50.56 -36.77 36.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.47 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -79.72 -47.76 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.47 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 30.2 mt-10 -56.33 -34.38 66.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.25 -34.62 76.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.47 ' CG2' ' HB3' ' A' ' 68' ' ' GLU . 6.8 mt -81.61 -54.41 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.2 mt -40.44 -49.94 2.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -44.78 19.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' ILE . 0.5 OUTLIER -68.2 -49.78 58.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.8 t -44.52 -52.96 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -41.82 -52.7 3.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.32 -38.93 63.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.4 mt -73.5 -36.63 65.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.471 ' HB2' ' CD1' ' A' ' 97' ' ' ILE . 0.1 OUTLIER -67.82 -34.94 77.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.43 -30.42 70.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.64 -29.41 65.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.545 ' CG1' ' HG3' ' A' ' 100' ' ' LYS . 2.7 t -72.74 -60.95 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -40.82 -31.17 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.9 m -121.93 50.48 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.493 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 9.2 t80 -109.89 163.56 13.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.493 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 2.2 tt0 -147.9 134.19 19.51 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.53 -158.83 24.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -123.32 -151.66 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.591 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 15.8 mttp -100.75 15.56 27.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.6 p -116.88 -39.82 3.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.419 ' O ' ' CD2' ' A' ' 59' ' ' LEU . 1.2 m-20 -47.57 137.4 9.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -34.87 37.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' MET . 2.8 ttmt -51.1 -60.1 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.591 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 57.7 t80 -43.74 -52.49 6.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.434 HD11 ' CD2' ' A' ' 58' ' ' TYR . 1.0 OUTLIER -66.58 -27.57 67.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.618 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.5 ttp -66.13 -42.55 88.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.52 HG22 ' CD1' ' A' ' 65' ' ' LEU . 50.6 mt -77.14 -58.32 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -37.29 -61.07 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.349 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.62 -64.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.618 ' CD2' ' O ' ' A' ' 60' ' ' MET . 22.0 m-85 -47.71 -47.01 30.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.52 ' CD1' HG22 ' A' ' 61' ' ' ILE . 10.8 mp -54.26 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' LEU . 9.1 m -46.51 -44.86 18.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -43.65 -39.66 3.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.47 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 8.3 mm-40 -70.46 -39.83 74.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.48 HD13 ' CG1' ' A' ' 94' ' ' VAL . 0.0 OUTLIER -47.76 -57.0 6.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mt -52.29 -34.33 46.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.93 -26.03 60.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' LEU . 52.4 mt -78.74 -32.35 46.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.86 -35.66 22.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.1 t -49.39 -23.33 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.462 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 70.5 t -70.9 136.25 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -114.94 102.82 54.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -22.05 15.18 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.18 -61.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -174.48 36.58 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.401 ' CB ' HG21 ' A' ' 83' ' ' VAL . 6.1 mmt180 -102.3 143.48 32.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.39 -57.92 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.09 -33.13 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.401 HG21 ' CB ' ' A' ' 80' ' ' ARG . 18.6 t -84.37 -57.02 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -40.51 -41.92 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -61.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.78 -56.4 2.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.462 ' NE ' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -47.3 -55.37 8.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -53.79 -61.59 2.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.9 -55.44 11.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -46.8 -38.97 10.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.6 t -81.86 -33.33 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 92' ' ' ARG . 5.4 tpt180 -65.86 -33.12 75.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -66.63 -52.21 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.48 ' CG1' HD13 ' A' ' 69' ' ' LEU . 12.4 t -58.93 -56.38 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -38.58 -56.93 1.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.6 m -51.9 -49.64 62.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.383 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.471 ' CD1' ' HB2' ' A' ' 43' ' ' GLU . 26.0 mt -57.34 -43.75 82.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.504 HD23 ' CD2' ' A' ' 65' ' ' LEU . 2.6 mm? -55.83 -30.94 62.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -83.66 -27.56 29.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.545 ' HG3' ' CG1' ' A' ' 46' ' ' VAL . 2.8 ptmt -73.67 -44.88 55.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.48 HD13 ' CG2' ' A' ' 46' ' ' VAL . 46.3 tp -48.6 -58.33 4.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 105' ' ' ALA . 6.7 mt-10 -36.93 -66.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -45.43 -44.61 12.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -64.43 -34.63 78.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 102' ' ' GLU . . . -100.05 29.52 4.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 -179.951 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.454 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 54.1 t-80 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.423 ' HD2' ' ND1' ' A' ' 26' ' ' HIS . 18.3 Cg_endo -74.99 -39.01 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.454 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -54.85 -27.22 43.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.43 ' O ' HG21 ' A' ' 32' ' ' VAL . 94.2 t -85.85 -59.08 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mt -42.78 -33.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -51.01 -36.99 42.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.483 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 1.0 OUTLIER -84.91 -48.17 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 39.3 mt-10 -52.78 -32.86 45.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.49 -38.86 88.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 68' ' ' GLU . 8.4 mt -76.37 -59.63 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.1 mt -40.29 -43.62 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -49.68 -46.86 50.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' ILE . 25.2 mtpt -70.03 -46.52 64.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 42' ' ' LEU . 53.2 t -40.84 -55.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -38.92 -48.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.47 -46.54 92.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.529 ' CD1' ' CD ' ' A' ' 68' ' ' GLU . 8.5 mt -65.25 -24.51 67.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' VAL . 3.8 tm-20 -71.16 -53.27 15.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -43.33 -41.64 4.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.91 96.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' GLU . 21.3 t -66.52 -50.75 64.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -60.82 -15.18 27.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.5 42.69 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' A' ' 50' ' ' GLU . 3.6 t80 -103.18 166.81 10.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.64 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 3.0 pt-20 -165.52 128.1 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 152.97 -135.35 4.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.21 -176.38 4.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.579 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 48.5 mttt -77.82 -11.47 59.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.8 p -92.48 -42.03 9.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.364 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -41.82 136.87 1.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 57' ' ' LYS . 23.4 tptt -54.43 -48.98 71.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' LYS . 1.3 tppt? -40.25 -61.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.579 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 89.1 t80 -42.51 -50.08 5.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.0 mp -57.43 -55.66 31.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.572 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.3 mtp -43.13 -48.95 6.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.9 mt -69.08 -43.23 81.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.4 ' C ' ' CD ' ' A' ' 62' ' ' GLU . 3.4 tm-20 -54.73 -53.57 53.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.341 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 2.8 pt-20 -64.01 -43.58 95.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.572 ' CD2' ' O ' ' A' ' 60' ' ' MET . 1.7 m-85 -58.34 -48.66 79.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.433 ' HA ' ' OE1' ' A' ' 68' ' ' GLU . 64.3 mt -54.05 -71.55 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 69' ' ' LEU . 1.3 m -43.63 -42.92 5.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -38.92 -45.57 1.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.529 ' CD ' ' CD1' ' A' ' 42' ' ' LEU . 13.9 mp0 -68.1 -47.08 69.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.482 ' CD2' ' HA ' ' A' ' 91' ' ' VAL . 81.4 mt -41.82 -54.27 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 mt -53.19 -43.66 67.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' GLU . . . -66.2 -23.02 66.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.458 ' CB ' HG11 ' A' ' 91' ' ' VAL . 21.2 mt -85.36 -51.35 6.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.467 ' O ' ' NH2' ' A' ' 87' ' ' ARG . 0.2 OUTLIER -64.52 -21.97 66.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.4 t -70.72 -5.52 30.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.476 ' O ' ' CZ ' ' A' ' 87' ' ' ARG . 59.4 t -84.15 130.5 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -110.95 99.38 42.48 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 79' ' ' GLY . 18.4 Cg_endo -74.96 -28.38 9.3 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.464 1.77 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 77' ' ' PRO . 0.3 OUTLIER 68.94 -59.07 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 77' ' ' PRO . . . -176.08 43.83 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -117.85 97.78 6.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 82' ' ' ASP . . . -40.14 -57.47 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 81' ' ' ALA . 0.6 OUTLIER -39.64 -49.58 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.347 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 84' ' ' ARG . 13.9 t -76.24 -62.33 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' VAL . 25.8 mtp180 -36.79 -41.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ARG . 1.0 OUTLIER -71.0 -66.63 0.59 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.244 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -44.94 -59.1 2.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.476 ' CZ ' ' O ' ' A' ' 75' ' ' VAL . 49.7 ttt180 -48.13 -26.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' GLN . 1.2 mtt-85 -82.4 -61.95 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -50.89 -22.21 2.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.86 -67.37 2.0 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.482 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 14.8 m -56.59 -34.5 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.421 ' N ' HG23 ' A' ' 91' ' ' VAL . 27.5 mtm180 -60.17 -44.43 95.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -53.47 -60.58 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.47 ' HB ' ' CD2' ' A' ' 69' ' ' LEU . 13.0 t -47.4 -54.93 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -42.23 -52.01 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.9 m -57.71 -41.39 81.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 57.1 mt -61.89 -41.74 91.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -56.98 -51.38 69.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.253 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -54.28 -37.44 64.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 101' ' ' LEU . 4.8 mtpt -61.44 -71.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.602 ' CD1' ' CD2' ' A' ' 49' ' ' PHE . 31.4 tp -40.52 -53.02 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -38.36 -57.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -34.38 78.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 101' ' ' LEU . 28.8 mmmt -60.42 -57.61 12.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.46 ' CB ' ' CE1' ' A' ' 49' ' ' PHE . . . -84.28 48.08 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.443 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 62.7 t-80 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -35.82 2.9 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.58 1.831 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.443 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -55.02 -36.65 61.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' LEU . 39.6 t -74.77 -59.08 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' VAL . 5.2 mt -39.92 -35.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.478 ' HG2' ' CG1' ' A' ' 75' ' ' VAL . 1.6 tttt -42.36 -35.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.458 HG23 ' CB ' ' A' ' 86' ' ' ALA . 1.2 m -84.32 -43.68 17.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.411 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 2.4 mt-10 -53.41 -34.26 57.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.73 -33.44 75.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.429 ' CG2' ' HB3' ' A' ' 68' ' ' GLU . 13.1 mt -81.42 -54.72 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.088 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.8 mt -43.14 -37.54 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -45.65 -41.99 10.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.488 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -69.46 -49.0 59.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.514 ' CG1' ' CD1' ' A' ' 97' ' ' ILE . 84.0 t -45.81 -37.55 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -55.9 -31.92 63.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . -74.75 -27.68 64.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -91.18 -30.71 16.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 0.735 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.52 -43.35 85.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -71.65 -28.87 64.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -72.51 -48.81 37.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.418 ' CG2' ' HG ' ' A' ' 101' ' ' LEU . 11.0 t -56.24 -59.44 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.78 -35.34 4.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.95 49.05 1.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.964 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 31.0 t80 -107.98 163.06 13.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 4.9 tt0 -156.38 132.61 9.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 152.91 -131.02 3.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.481 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -154.5 -171.34 3.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.596 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 5.0 mtmt -90.81 2.89 55.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.7 p -114.11 -19.1 11.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.392 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.38 159.94 17.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -75.24 -54.02 7.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -40.53 -46.9 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.596 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 63.5 t80 -54.81 -46.95 74.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.26 -34.25 73.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.454 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.2 ttp -60.26 -48.48 81.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.8 mt -66.55 -44.48 90.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -50.75 -66.13 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.35 -58.92 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.478 ' CB ' ' CD1' ' A' ' 42' ' ' LEU . 14.0 m-85 -51.68 -61.54 2.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 42' ' ' LEU . 55.7 mt -39.38 -63.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 69' ' ' LEU . 3.4 m -57.89 -48.41 79.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 110.393 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' THR . 58.5 mttt -39.82 -48.65 2.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.429 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 5.8 mm-40 -63.98 -42.44 97.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 66' ' ' THR . 47.1 mt -52.38 -58.0 8.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -47.36 -39.11 14.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.4 ' CB ' HG21 ' A' ' 35' ' ' ILE . . . -73.02 -32.91 65.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' LEU . 18.5 mt -65.03 -30.71 71.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -94.54 -17.61 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.8 t -61.8 -39.81 93.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.543 ' CG2' ' HD2' ' A' ' 87' ' ' ARG . 4.7 m -61.88 143.91 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.3 118.2 46.14 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.437 ' CB ' ' HG3' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.02 -20.34 16.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.555 1.819 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.446 ' OE1' ' NH1' ' A' ' 80' ' ' ARG . 16.2 mt-10 75.91 -66.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -173.88 33.69 0.11 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.446 ' NH1' ' OE1' ' A' ' 78' ' ' GLU . 0.5 OUTLIER -114.6 157.97 22.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.44 -42.76 8.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 1.178 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.29 -42.1 60.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.7 t -69.47 -55.82 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 88' ' ' ARG . 59.3 mtp180 -52.85 -47.17 67.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -44.24 -61.86 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.458 ' CB ' HG23 ' A' ' 32' ' ' VAL . . . -61.39 -48.9 79.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.543 ' HD2' ' CG2' ' A' ' 75' ' ' VAL . 0.8 OUTLIER -56.8 -18.51 13.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 84' ' ' ARG . 1.5 ttt180 -100.68 -35.36 9.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -68.3 -64.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -43.88 -31.81 2.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 87' ' ' ARG . 75.8 t -70.92 -52.58 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.99 -24.69 59.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.0 tptm -65.54 -66.4 0.55 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.476 ' CG2' HG22 ' A' ' 39' ' ' VAL . 15.0 t -46.15 -51.3 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -43.73 -50.42 7.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.5 m -58.83 -31.96 68.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.514 ' CD1' ' CG1' ' A' ' 39' ' ' VAL . 29.6 mt -71.22 -39.95 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.461 ' CD2' HG11 ' A' ' 94' ' ' VAL . 2.5 mm? -63.08 -48.79 77.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.23 -21.41 65.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.457 ' O ' ' CG ' ' A' ' 104' ' ' LYS . 15.7 ttpp -89.97 -48.7 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.573 HD11 ' CE1' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -42.2 -55.96 3.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 105' ' ' ALA . 5.3 mt-10 -46.64 -73.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -39.9 -45.63 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 1.4 mmpt? -54.89 -48.35 73.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.239 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.481 ' CB ' ' HA ' ' A' ' 52' ' ' LYS . . . -66.13 -39.28 89.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.453 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 64.3 t-80 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.3 Cg_endo -75.0 -36.58 2.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.78 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.453 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -58.25 -34.02 72.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.549 1.156 . . . . 0.0 111.047 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.45 HG22 ' CG2' ' A' ' 83' ' ' VAL . 82.6 t -76.3 -56.99 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -43.79 -36.54 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -45.5 -29.51 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.9 OUTLIER -87.46 -46.59 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.457 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 6.3 mt-10 -56.21 -33.12 65.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.29 -32.53 72.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.6 mt -81.88 -54.62 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 mt -43.86 -36.86 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -50.41 -38.3 42.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.505 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 25.6 mttt -72.93 -48.54 36.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.501 ' CG1' ' CD1' ' A' ' 97' ' ' ILE . 93.5 t -46.55 -36.68 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.178 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -57.54 -31.08 65.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 110.261 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.87 -25.44 69.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -94.22 -34.49 12.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.745 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 97' ' ' ILE . 0.5 OUTLIER -69.34 -39.6 78.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.255 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.31 -24.89 62.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -80.29 -39.5 28.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.431 ' CG2' HG22 ' A' ' 61' ' ' ILE . 10.9 t -62.78 -52.99 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -57.99 -19.3 29.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.46 16.73 15.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.544 ' CD2' HD12 ' A' ' 101' ' ' LEU . 43.6 t80 -94.16 138.98 31.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -138.27 21.27 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.43 ' HA3' ' CE1' ' A' ' 49' ' ' PHE . . . -82.14 -142.28 3.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.448 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 0.2 OUTLIER -147.81 -170.79 3.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.771 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -84.74 7.15 21.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.5 p -114.12 -32.9 5.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -54.16 155.75 3.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.44 -43.55 63.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -46.19 -48.77 17.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.566 ' CE1' ' HG ' ' A' ' 101' ' ' LEU . 67.5 t80 -55.7 -41.2 73.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.2 mt -69.26 -33.6 73.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.599 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 3.2 mtp -68.93 -45.48 70.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.439 ' CG2' HD13 ' A' ' 65' ' ' LEU . 47.3 mt -67.38 -31.46 53.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -70.53 -53.03 17.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.255 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 2.8 pt-20 -55.5 -44.75 76.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 60' ' ' MET . 21.2 m-85 -67.02 -60.8 2.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.439 HD13 ' CG2' ' A' ' 61' ' ' ILE . 34.8 mt -38.11 -50.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.2 m -65.05 -46.21 82.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.438 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 64' ' ' TYR . 25.1 mttp -45.19 -41.73 8.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -70.13 -33.59 72.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.472 HD22 ' CG2' ' A' ' 94' ' ' VAL . 30.8 mt -61.92 -58.34 8.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -51.43 -35.36 39.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.37 -26.3 61.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' LEU . 36.1 mt -79.65 -28.63 40.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -78.02 -37.62 46.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -57.06 -17.33 9.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 75.6 t -82.63 121.25 35.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -113.94 111.89 47.84 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -22.92 14.2 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 73.74 -63.94 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -164.94 31.37 0.23 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -105.61 130.89 53.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 110.341 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.92 -43.25 18.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.13 -30.52 59.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.45 ' CG2' HG22 ' A' ' 29' ' ' VAL . 39.9 t -86.17 -48.24 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.26 -47.63 68.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.549 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 6.4 pt20 -56.92 -48.92 77.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.549 ' N ' ' CG ' ' A' ' 85' ' ' GLN . . . -64.84 -44.45 89.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -43.65 97.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -60.02 -49.38 77.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER -62.32 -35.69 79.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.257 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.29 -60.95 7.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.463 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 3.2 m -68.08 -48.74 73.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.738 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.456 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 0.2 OUTLIER -52.13 -35.88 49.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.461 ' CE ' HD11 ' A' ' 97' ' ' ILE . 6.2 tptm -63.22 -48.1 79.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.472 ' CG2' HD22 ' A' ' 69' ' ' LEU . 19.0 t -65.25 -57.77 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 94' ' ' VAL . 28.2 mt-30 -36.63 -44.65 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.3 m -67.03 -51.88 49.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.501 ' CD1' ' CG1' ' A' ' 39' ' ' VAL . 12.9 mt -57.58 -40.97 77.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.8 mt -58.76 -46.16 88.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -31.88 72.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.41 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 1.2 mtpt -65.63 -60.71 2.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 58' ' ' TYR . 52.5 tp -40.56 -49.15 2.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -42.57 -70.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -60.01 -45.98 90.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -46.5 -40.31 12.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.448 ' CB ' ' HA ' ' A' ' 52' ' ' LYS . . . -63.98 -41.44 97.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.48 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 62.3 t-80 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -36.34 2.59 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.468 1.773 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.48 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -51.94 -34.53 38.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.457 HG12 ' CB ' ' A' ' 86' ' ' ALA . 31.3 t -79.54 -54.92 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.361 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.0 mt -45.76 -36.86 5.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.38 -34.51 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.9 OUTLIER -83.84 -46.48 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.457 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 2.1 mt-10 -54.62 -36.07 64.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.22 -32.97 73.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.473 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 19.6 mt -85.29 -46.08 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.71 -36.82 26.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -39.8 89.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.5 -35.04 60.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' LEU . 42.7 t -50.77 -46.48 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -46.21 -43.4 15.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.98 -28.13 72.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 64' ' ' TYR . 65.9 mt -86.87 -22.1 25.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' HB2' ' CD1' ' A' ' 97' ' ' ILE . 0.1 OUTLIER -86.15 -35.26 20.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.436 ' CG ' ' N ' ' A' ' 45' ' ' ALA . 11.0 pt20 -65.23 -43.78 90.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -58.71 -32.04 68.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.517 ' CG1' ' HG3' ' A' ' 100' ' ' LYS . 4.6 t -66.83 -61.31 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -48.08 -25.78 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.5 t -92.29 -28.49 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.507 ' CD2' HD12 ' A' ' 101' ' ' LEU . 49.2 t80 -65.47 151.9 45.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -154.84 22.34 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.53 -136.92 0.44 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.465 ' C ' ' CB ' ' A' ' 105' ' ' ALA . 0.1 OUTLIER -143.79 -171.52 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.576 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 14.1 mttp -83.35 5.13 24.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -110.87 -50.08 2.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -41.82 138.63 1.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -58.59 -42.88 89.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.84 -56.99 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 63.3 t80 -50.07 -47.29 53.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 111.034 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.3 mp -62.91 -52.8 61.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.605 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 2.2 ttp -45.71 -42.98 12.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.464 ' O ' ' CD1' ' A' ' 65' ' ' LEU . 32.8 mt -77.46 -43.11 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -48.38 -44.4 34.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.469 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 2.4 pt-20 -72.12 -41.95 66.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 60' ' ' MET . 12.1 m-30 -56.53 -39.87 74.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.47 ' CD2' ' HG ' ' A' ' 98' ' ' LEU . 10.4 mp -62.16 -77.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.481 ' HA ' ' CD1' ' A' ' 69' ' ' LEU . 2.1 m -37.5 -42.9 0.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.409 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' THR . 17.9 mttp -39.73 -44.59 1.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.36 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.456 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 5.8 mm-40 -67.65 -45.02 76.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' ' 66' ' ' THR . 10.3 mt -46.78 -50.72 17.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 74' ' ' SER . 3.6 mm? -58.76 -38.35 78.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.473 ' HB1' ' CD1' ' A' ' 35' ' ' ILE . . . -74.71 -20.22 59.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.461 ' CD1' HG23 ' A' ' 94' ' ' VAL . 33.1 mt -89.97 -25.83 20.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -98.95 -15.94 18.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' LEU . 13.9 t -66.1 -37.73 86.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.56 ' CG2' ' HD2' ' A' ' 87' ' ' ARG . 5.3 m -66.64 141.51 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -112.7 117.63 46.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.431 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.02 -22.03 15.2 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.01 32.27 21.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.9 -21.26 44.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -53.5 97.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 0.781 . . . . 0.0 110.335 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.75 -47.02 71.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.88 -43.56 63.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 64.6 t -74.2 -51.07 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.431 ' HG3' ' CG ' ' A' ' 77' ' ' PRO . 4.4 mtt180 -49.22 -48.3 45.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 89' ' ' ASP . 1.1 tt0 -51.19 -59.39 4.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.457 ' CB ' HG12 ' A' ' 29' ' ' VAL . . . -59.2 -36.34 75.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.56 ' HD2' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -64.03 -41.95 97.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -22.76 37.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 85' ' ' GLN . 41.1 t0 -79.03 -45.89 19.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.69 -47.81 82.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.436 HG11 ' CB ' ' A' ' 72' ' ' LEU . 34.7 m -60.32 -44.65 96.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.763 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 23.3 ttt-85 -56.28 -44.88 80.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 110.344 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.55 -47.77 75.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.461 HG23 ' CD1' ' A' ' 72' ' ' LEU . 11.3 t -64.91 -53.19 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -40.56 -58.16 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 99' ' ' GLU . 3.1 m -50.46 -56.46 11.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.407 ' CD1' ' HB2' ' A' ' 43' ' ' GLU . 55.0 mt -47.51 -49.5 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.47 ' HG ' ' CD2' ' A' ' 65' ' ' LEU . 4.2 mt -55.84 -27.97 54.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 96' ' ' THR . 2.8 tt0 -82.73 -28.36 30.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.517 ' HG3' ' CG1' ' A' ' 46' ' ' VAL . 3.6 ptmt -72.74 -44.01 62.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.507 HD12 ' CD2' ' A' ' 49' ' ' PHE . 12.2 tp -52.07 -57.31 9.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 101' ' ' LEU . 54.0 mt-10 -37.39 -57.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -53.36 -41.89 66.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 110.336 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -61.2 -38.44 86.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.465 ' CB ' ' C ' ' A' ' 52' ' ' LYS . . . -96.96 36.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.488 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 63.6 t-80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.46 2.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.488 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -54.61 -29.03 47.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.5 t -82.97 -56.67 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.774 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 mt -43.83 -35.66 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -48.05 -35.19 10.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -82.76 -46.5 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.447 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 11.3 mt-10 -51.27 -34.65 33.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.22 89.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.7 mt -77.9 -49.19 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 36' ' ' LEU . 3.9 mm? -48.36 -35.12 11.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -48.18 82.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' C ' ' OE2' ' A' ' 68' ' ' GLU . 4.0 mtpp -61.26 -36.62 80.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.489 ' N ' ' OE2' ' A' ' 68' ' ' GLU . 98.9 t -56.62 -33.22 39.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.468 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 8.6 mt-30 -55.64 -30.8 61.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.98 -26.69 68.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.49 ' CD1' ' HB3' ' A' ' 64' ' ' TYR . 1.4 mm? -91.28 -37.16 13.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.439 0.729 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -72.72 -42.59 63.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.468 ' CG ' ' O ' ' A' ' 40' ' ' GLN . 12.9 mm100 -64.29 -31.74 73.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' SER . . . -74.45 -40.12 62.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.532 ' CG1' ' HG3' ' A' ' 100' ' ' LYS . 4.9 t -58.12 -64.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -44.08 -27.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 45' ' ' ALA . 23.4 t -125.08 46.61 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.52 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 2.9 t80 -116.77 165.53 13.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.52 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 2.0 tt0 -160.07 134.3 7.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 159.74 -131.97 2.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.9 -170.88 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.584 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 1.6 mtmp? -88.59 5.69 41.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 71.5 p -114.44 -30.19 6.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.06 156.57 2.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.3 -32.85 38.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -40.7 80.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.606 ' CE2' ' OE1' ' A' ' 62' ' ' GLU . 56.2 t80 -64.38 -43.39 94.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.9 mt -59.14 -35.2 73.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.595 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 3.3 mtp -58.89 -50.69 73.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.1 mt -72.25 -36.54 56.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.606 ' OE1' ' CE2' ' A' ' 58' ' ' TYR . 2.3 tt0 -64.43 -50.39 67.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.477 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 4.5 pt-20 -61.7 -44.53 96.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.344 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 60' ' ' MET . 3.1 m-85 -59.95 -65.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 64' ' ' TYR . 26.4 mt -34.11 -56.34 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' LEU . 3.1 m -57.08 -48.69 77.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.425 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 64' ' ' TYR . 18.5 mttm -47.78 -34.21 8.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.489 ' OE2' ' N ' ' A' ' 39' ' ' VAL . 18.0 mt-10 -74.37 -33.03 62.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -58.76 -55.92 28.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.3 mt -51.35 -33.01 27.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.59 -28.26 65.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' LEU . 17.4 mt -81.56 -29.41 33.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.367 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.12 -39.55 33.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.8 t -53.55 -19.9 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.7 t -74.02 126.96 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -110.26 113.47 56.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.475 ' O ' ' CD ' ' A' ' 80' ' ' ARG . 18.2 Cg_endo -75.02 -32.42 5.37 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 64.43 11.47 6.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 101.87 50.36 1.18 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.475 ' CD ' ' O ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -126.18 101.36 6.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 0.792 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 85' ' ' GLN . . . -39.74 -55.24 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.97 -63.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 t -61.5 -56.19 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -43.56 -31.53 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.454 ' CD ' ' N ' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -76.22 -69.5 0.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.454 ' N ' ' CD ' ' A' ' 85' ' ' GLN . . . -39.32 -32.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -72.3 -67.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.55 -34.88 12.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.69 -54.83 5.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -42.41 -59.86 2.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.9 m -54.11 -45.5 65.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.355 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -46.82 42.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -56.42 -49.62 74.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.465 HG21 ' CG2' ' A' ' 39' ' ' VAL . 59.9 t -64.71 -56.75 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -38.9 -54.84 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.2 m -54.55 -56.84 14.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.366 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 43' ' ' GLU . 40.5 mt -48.04 -53.66 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.452 HD21 ' CD1' ' A' ' 65' ' ' LEU . 7.9 mt -49.08 -35.26 15.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.89 -29.5 50.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.256 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.532 ' HG3' ' CG1' ' A' ' 46' ' ' VAL . 1.1 ptmt -74.32 -39.09 63.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.575 HD12 ' CE1' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -51.89 -55.33 20.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 105' ' ' ALA . 7.2 mt-10 -38.49 -69.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -42.15 -40.74 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -65.16 -44.19 89.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.462 ' CB ' ' CD1' ' A' ' 58' ' ' TYR . . . -92.43 33.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.498 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.6 t-80 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.75 2.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.498 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -52.58 -33.9 42.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 32' ' ' VAL . 20.4 t -83.79 -57.58 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 mt -43.8 -36.68 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.475 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 6.8 tttt -46.64 -33.03 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.471 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -87.86 -47.34 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.471 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 3.1 mt-10 -55.31 -31.55 61.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.2 -40.47 96.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.475 ' CD1' ' O ' ' A' ' 31' ' ' LYS . 4.1 mt -78.65 -47.79 23.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.0 mt -46.45 -42.87 15.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -56.83 -50.58 71.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -59.78 -44.63 93.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 42' ' ' LEU . 98.9 t -48.03 -48.28 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -39.65 -50.6 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.12 -43.67 88.62 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.445 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 24.6 mt -67.43 -29.66 69.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -77.84 -28.0 50.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.251 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -65.73 -33.25 75.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -71.22 -38.37 72.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.476 ' CG2' ' HB2' ' A' ' 101' ' ' LEU . 22.2 t -65.78 -42.05 91.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.35 -20.81 64.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.18 54.64 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.967 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' A' ' 50' ' ' GLU . 0.9 OUTLIER -102.55 160.24 14.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.578 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 22.3 mt-10 -136.64 116.52 13.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.245 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.55 -179.33 25.48 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -109.71 -167.39 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 0.778 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.435 ' HG2' ' CE2' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -83.64 7.63 16.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -115.58 -32.11 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.91 153.07 2.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -49.45 59.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.83 -46.32 7.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.467 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 41.9 t80 -59.43 -42.08 91.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.6 mt -63.5 -39.57 94.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.51 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 3.2 mtp -57.66 -51.02 71.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.413 ' CG2' HD12 ' A' ' 65' ' ' LEU . 20.9 mt -63.39 -38.52 82.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -56.7 -59.86 4.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 5.4 pt-20 -61.47 -44.77 96.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 60' ' ' MET . 1.9 m-85 -54.18 -44.49 71.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.479 ' CD1' HD13 ' A' ' 98' ' ' LEU . 13.9 mt -60.05 -64.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.5 m -48.41 -44.47 35.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.422 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -40.31 -42.76 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 9.9 mm-40 -69.31 -44.03 72.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 66' ' ' THR . 11.6 mt -48.12 -49.26 32.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -56.25 -16.97 6.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 68' ' ' GLU . . . -82.3 -18.71 41.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.53 ' CB ' ' CG1' ' A' ' 91' ' ' VAL . 0.2 OUTLIER -75.34 -61.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.424 ' HA ' ' NH2' ' A' ' 87' ' ' ARG . 3.8 t70 -50.89 -44.95 59.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.42 -27.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.415 ' N ' ' C ' ' A' ' 73' ' ' ASP . 59.0 t -73.29 132.01 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.5 102.22 46.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -24.0 13.24 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.545 1.813 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 74.39 -64.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.307 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.54 36.8 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.462 ' CB ' HG22 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -108.03 149.37 28.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 110.277 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.83 -48.94 7.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -50.82 -27.86 8.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.462 HG22 ' CB ' ' A' ' 80' ' ' ARG . 13.0 t -90.66 -54.56 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -45.44 -35.18 3.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.245 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -73.75 -59.6 2.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.452 ' CB ' HG22 ' A' ' 32' ' ' VAL . . . -39.13 -46.38 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.424 ' NH2' ' HA ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -57.56 -71.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.91 -52.09 15.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.6 -40.54 79.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 86' ' ' ALA . . . -64.74 -65.23 3.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.53 ' CG1' ' CB ' ' A' ' 72' ' ' LEU . 27.7 m -45.22 -46.18 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -49.57 -57.66 6.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 92' ' ' ARG . 5.0 tptm -37.89 -52.58 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.446 HG12 ' CD2' ' A' ' 98' ' ' LEU . 3.5 t -61.2 -53.6 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -40.8 -58.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.4 m -49.82 -45.64 50.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 16.2 mt -59.78 -36.8 68.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.479 HD13 ' CD1' ' A' ' 65' ' ' LEU . 2.6 mm? -65.3 -55.77 16.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.48 -19.34 36.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 104' ' ' LYS . 4.8 ttpp -76.43 -72.87 0.31 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.572 HD11 ' CD2' ' A' ' 49' ' ' PHE . 8.1 tp -41.68 -46.48 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.76 -44.26 77.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 100' ' ' LYS . 4.0 mm-40 -93.28 9.53 35.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.561 ' HG3' ' N ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -102.05 -47.46 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.561 ' N ' ' HG3' ' A' ' 104' ' ' LYS . . . -59.22 -52.44 65.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.959 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.492 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 59.1 t-80 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.42 ' HD2' ' ND1' ' A' ' 26' ' ' HIS . 18.4 Cg_endo -74.98 -35.44 3.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.781 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.492 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -53.97 -34.45 52.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.7 t -75.97 -52.77 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.766 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mt -47.85 -35.13 9.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -41.46 -40.34 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.9 OUTLIER -77.41 -46.03 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.443 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 3.2 mt-10 -56.0 -32.79 64.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.76 95.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.7 mt -73.21 -48.75 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.454 ' N ' HD21 ' A' ' 36' ' ' LEU . 4.5 mm? -51.52 -34.4 36.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -34.85 73.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -84.26 -44.24 14.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.526 ' CG1' ' CD1' ' A' ' 97' ' ' ILE . 75.0 t -43.63 -47.13 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -45.18 -47.66 12.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.24 -31.42 62.33 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.455 ' CD2' ' HB3' ' A' ' 64' ' ' TYR . 85.4 mt -79.13 -31.01 44.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.472 ' CG ' HG12 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -65.12 -36.76 85.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -60.75 -40.41 92.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -60.85 -50.09 74.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 101' ' ' LEU . 24.2 t -59.21 -61.31 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.18 -25.46 5.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.7 p -118.06 35.98 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.026 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.459 ' CD1' ' HD3' ' A' ' 57' ' ' LYS . 76.7 t80 -100.28 165.68 11.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.454 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 1.9 pt-20 -163.86 120.11 1.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 154.85 -131.91 3.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.5 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -145.82 -169.58 3.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.777 . . . . 0.0 109.267 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.489 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 11.9 mttp -83.39 -13.39 55.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.9 -31.23 16.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.404 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.505 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 12.3 m-20 -55.89 148.1 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 59' ' ' LEU . 2.8 tmtm? -64.38 -46.06 84.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.459 ' HD3' ' CD1' ' A' ' 49' ' ' PHE . 11.7 ttmt -42.65 -31.83 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.489 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 86.7 t80 -80.52 -40.97 25.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 55' ' ' ASP . 8.5 mp -63.65 -52.13 62.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.642 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 3.5 ptm -57.29 -30.48 64.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 64' ' ' TYR . 41.2 mt -77.94 -62.39 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 61' ' ' ILE . 0.6 OUTLIER -36.68 -50.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.573 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -56.23 -46.57 79.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.642 ' CD2' ' O ' ' A' ' 60' ' ' MET . 16.7 m-30 -61.63 -46.58 89.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.461 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 3.9 mp -56.41 -72.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.8 m -44.35 -44.37 8.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.425 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 66' ' ' THR . 10.7 mttt -39.19 -47.32 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.59 -47.27 86.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -46.13 -57.93 4.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.9 mt -48.93 -41.87 35.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.85 -30.96 69.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.559 ' O ' ' CG ' ' A' ' 87' ' ' ARG . 14.1 mt -72.65 -26.32 61.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.33 -29.92 15.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.6 t -53.24 -45.37 68.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.017 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.59 ' CG2' ' HD2' ' A' ' 87' ' ' ARG . 17.7 m -55.79 147.93 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.46 116.42 43.86 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.439 ' HG3' ' NH1' ' A' ' 87' ' ' ARG . 18.3 Cg_endo -75.0 -23.19 14.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 68.08 8.67 6.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 101.52 -6.27 55.25 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.71 102.74 1.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.47 -48.14 19.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.62 -51.59 8.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.4 t -70.46 -59.45 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.438 ' CG ' ' HB2' ' A' ' 77' ' ' PRO . 5.6 mtt180 -38.9 -47.97 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -58.35 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.15 -52.72 24.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.59 ' HD2' ' CG2' ' A' ' 75' ' ' VAL . 3.2 ttp-105 -49.03 -38.02 22.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -68.95 -67.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.36 -55.22 3.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -49.62 -46.17 38.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 87' ' ' ARG . 55.0 t -64.54 -47.13 90.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 0.766 . . . . 0.0 109.328 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.2 -30.82 68.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -67.44 -55.73 12.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.449 HG13 ' CD1' ' A' ' 69' ' ' LEU . 44.1 t -55.2 -50.96 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -45.78 -47.1 15.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.0 m -56.91 -31.2 64.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.526 ' CD1' ' CG1' ' A' ' 39' ' ' VAL . 38.5 mt -68.48 -38.15 78.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 65' ' ' LEU . 4.3 mm? -64.4 -53.37 49.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -18.33 22.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.446 ' O ' ' CG ' ' A' ' 104' ' ' LYS . 24.0 ttpp -83.46 -59.19 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 46' ' ' VAL . 40.8 tp -45.22 -53.83 7.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 101' ' ' LEU . 18.3 mt-10 -38.69 -69.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -51.65 -43.35 62.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 2.3 mmpt? -50.96 -41.8 59.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.5 ' CB ' ' HA ' ' A' ' 52' ' ' LYS . . . -73.27 -45.75 53.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.7 m . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.432 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 59.4 t-80 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.429 ' HD2' ' ND1' ' A' ' 26' ' ' HIS . 18.5 Cg_endo -74.9 -36.2 2.78 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.5 1.79 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.432 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -52.94 -33.29 43.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.6 t -77.79 -56.67 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.346 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 mt -42.49 -36.25 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.81 -31.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 1.0 OUTLIER -85.48 -46.54 17.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.45 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 9.6 mt-10 -54.58 -38.61 66.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.2 70.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 68' ' ' GLU . 7.0 mt -83.57 -52.52 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 mt -45.92 -37.2 6.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.82 -40.79 73.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' ILE . 4.0 mttt -75.69 -41.95 52.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 42' ' ' LEU . 50.5 t -43.8 -51.46 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -46.74 -45.15 19.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.9 -24.77 71.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 64' ' ' TYR . 53.5 mt -91.16 -19.73 22.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -86.94 -33.52 19.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.422 ' CG ' ' N ' ' A' ' 45' ' ' ALA . 12.1 pt20 -59.29 -41.75 89.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -60.35 -37.89 82.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.463 ' CG2' ' HG ' ' A' ' 101' ' ' LEU . 11.6 t -61.2 -71.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.24 -26.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -119.52 41.29 3.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.03 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.586 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 35.4 t80 -99.24 171.87 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.586 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 1.9 mt-10 -159.5 138.88 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.45 -143.5 14.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.42 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -144.44 -176.24 4.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 109.273 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.594 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 4.7 mtmp? -72.19 -5.6 36.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -91.93 -52.9 4.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.42 ' OD2' ' N ' ' A' ' 52' ' ' LYS . 46.7 m-20 -39.35 129.25 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -55.43 -21.76 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -58.29 -56.39 22.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.594 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 75.9 t80 -51.29 -46.96 62.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.7 mp -56.12 -50.19 71.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.68 -58.9 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.518 ' CG2' ' CD1' ' A' ' 65' ' ' LEU . 76.4 mt -52.42 -58.96 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.367 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.444 ' C ' ' CD ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -37.79 -46.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.306 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.555 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -60.85 -53.19 60.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.555 ' N ' ' CG ' ' A' ' 63' ' ' GLU . 33.0 m-85 -52.16 -42.7 63.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.518 ' CD1' ' CG2' ' A' ' 61' ' ' ILE . 9.4 mp -60.75 -73.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.1 m -39.86 -41.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.43 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -40.51 -45.97 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.468 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 12.2 mm-40 -66.67 -41.44 88.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.476 ' CD2' ' HB ' ' A' ' 94' ' ' VAL . 64.0 mt -52.53 -52.94 52.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.68 -39.8 77.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.14 -26.17 64.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.473 ' O ' ' CG ' ' A' ' 87' ' ' ARG . 8.4 mt -76.26 -23.43 54.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -92.7 -19.76 21.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.1 t -65.7 -44.13 87.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.547 ' CG2' ' HD2' ' A' ' 87' ' ' ARG . 6.4 m -59.01 144.68 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -112.46 117.41 47.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.478 ' HA ' ' CG1' ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.01 -36.69 2.4 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.468 1.773 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 70.9 66.08 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 42.09 42.96 4.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.453 1.096 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -124.67 100.55 6.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 0.732 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.98 -39.46 41.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.4 -48.21 62.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.478 ' CG1' ' HA ' ' A' ' 77' ' ' PRO . 59.8 t -80.44 -51.79 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -48.54 -58.14 5.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.334 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.415 ' HA ' ' NH1' ' A' ' 88' ' ' ARG . 1.8 tt0 -43.65 -56.73 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.273 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.45 -50.92 50.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.547 ' HD2' ' CG2' ' A' ' 75' ' ' VAL . 6.7 ttp180 -49.32 -46.46 46.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.415 ' NH1' ' HA ' ' A' ' 85' ' ' GLN . 4.5 mtm-85 -69.62 -49.66 51.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -48.89 -42.76 37.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.95 -50.47 18.23 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.5 t -54.32 -35.59 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -67.98 -33.83 75.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -50.14 73.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.476 ' HB ' ' CD2' ' A' ' 69' ' ' LEU . 13.0 t -57.27 -49.0 81.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -46.65 -57.72 4.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.8 m -48.84 -48.52 41.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.36 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.6 mt -57.19 -42.65 80.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.471 HD21 ' CD2' ' A' ' 65' ' ' LEU . 2.3 mm? -59.99 -27.4 66.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -76.72 -32.47 57.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.452 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 7.1 mtpt -71.06 -56.47 6.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.574 HD11 ' CE1' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -38.17 -53.63 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 105' ' ' ALA . 0.6 OUTLIER -41.74 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -48.48 -35.23 12.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 0.5 OUTLIER -62.8 -31.1 72.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 102' ' ' GLU . . . -105.66 31.06 5.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.005 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.515 ' O ' HD22 ' A' ' 30' ' ' LEU . 63.3 t-80 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.04 -34.85 3.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.777 . . . . 0.0 110.988 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.477 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -51.84 -27.67 21.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.542 1.152 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.428 ' O ' HG23 ' A' ' 32' ' ' VAL . 41.0 t -86.13 -45.36 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.64 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -64.79 -28.6 69.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -49.84 -25.19 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.435 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -90.68 -45.39 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.435 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 7.2 mt-10 -53.17 -37.95 62.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.02 77.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.405 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 15.0 mt -79.95 -50.84 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.9 mt -46.52 -35.78 6.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.48 -45.27 13.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -64.5 -48.35 75.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.436 HG22 ' CG2' ' A' ' 94' ' ' VAL . 72.8 t -45.93 -37.56 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -55.53 -32.07 62.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.08 -25.96 72.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -90.65 -27.91 18.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 109.278 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.413 ' OE1' ' NZ ' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -66.32 -50.24 64.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -69.91 -31.74 69.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 110.326 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.48 -34.3 76.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.522 ' CG1' ' HG3' ' A' ' 100' ' ' LYS . 3.4 t -70.45 -67.11 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -43.72 -27.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 46' ' ' VAL . 44.5 t -120.83 45.18 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.023 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.6 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 23.0 t80 -102.33 171.69 7.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.6 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 2.6 mt-10 -156.5 138.78 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.35 -154.65 18.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -130.69 -156.21 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.751 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.59 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 8.5 mttp -88.17 12.47 13.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.5 p -114.11 -48.13 2.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.386 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -41.54 131.08 3.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.298 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -38.91 19.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 10.6 ttpt -45.03 -59.0 2.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.59 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 59.4 t80 -47.97 -46.97 33.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.2 mp -59.63 -52.11 66.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.0 mtp -45.55 -65.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.424 ' CG2' HD21 ' A' ' 101' ' ' LEU . 38.2 mt -48.67 -53.9 5.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' GLU . 0.6 OUTLIER -41.5 -67.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -37.93 -63.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.494 ' CB ' HD12 ' A' ' 42' ' ' LEU . 36.5 m-85 -47.43 -62.93 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 42' ' ' LEU . 53.9 mt -37.25 -58.13 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.6 m -61.08 -48.83 79.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -41.81 -49.8 4.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -61.6 -39.99 93.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.467 ' CD2' ' HB ' ' A' ' 94' ' ' VAL . 43.6 mt -56.78 -51.11 70.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.52 -34.93 62.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.405 ' HB1' ' CD1' ' A' ' 35' ' ' ILE . . . -71.93 -24.33 61.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.3 mt -80.84 -28.06 36.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.23 -37.66 57.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -55.67 -19.1 9.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.148 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.0 t -80.89 123.0 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -112.75 106.62 55.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.403 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 18.5 Cg_endo -74.93 -35.64 3.09 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.516 1.798 . . . . 0.0 111.051 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 12.7 mt-10 79.12 -59.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.224 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 173.3 38.54 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -86.8 -18.75 30.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 74.26 -64.29 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -49.49 -44.52 46.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.4 t -74.56 -34.71 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -62.77 -39.96 95.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -61.64 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 90' ' ' GLY . . . -43.59 -44.8 6.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -60.56 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -54.32 -27.83 38.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -83.42 -33.71 25.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 86' ' ' ALA . . . -72.28 -50.47 16.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 19.0 m -61.94 -43.94 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 109.249 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -60.68 -39.89 90.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -51.97 -57.38 9.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.467 ' HB ' ' CD2' ' A' ' 69' ' ' LEU . 12.1 t -58.91 -56.11 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 94' ' ' VAL . 38.2 mt-30 -37.34 -60.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.4 m -50.98 -49.08 60.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 52.1 mt -59.54 -44.78 93.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.5 mt -56.41 -30.4 62.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.64 -26.84 25.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.311 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.522 ' HG3' ' CG1' ' A' ' 46' ' ' VAL . 3.8 ptmt -73.8 -36.02 64.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.438 ' HB2' ' CG2' ' A' ' 46' ' ' VAL . 47.6 tp -60.02 -54.9 40.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -38.65 -53.67 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.47 -42.87 83.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -60.81 -33.14 72.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -102.0 36.35 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.481 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.7 t-80 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -36.26 2.62 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.481 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -53.46 -38.8 58.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 86' ' ' ALA . 55.5 t -72.07 -58.21 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' GLU . 4.6 mt -42.12 -33.39 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -37.42 -43.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.442 HG13 ' NH1' ' A' ' 87' ' ' ARG . 0.9 OUTLIER -78.24 -45.31 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.7 mt-10 -54.81 -35.3 63.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -36.11 74.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.445 ' CD1' ' O ' ' A' ' 71' ' ' ALA . 9.6 mt -82.97 -50.09 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 39' ' ' VAL . 11.5 mt -41.04 -50.49 3.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -41.0 -40.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' ILE . 20.4 mttm -74.52 -43.3 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 42' ' ' LEU . 73.7 t -48.9 -49.64 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -41.25 -44.88 2.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.259 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.73 -40.56 98.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' VAL . 82.4 mt -70.76 -23.66 62.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.48 ' HG2' ' CG2' ' A' ' 97' ' ' ILE . 1.0 OUTLIER -73.49 -54.35 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.357 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -45.23 -41.65 8.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.71 85.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.535 ' CG1' ' HG3' ' A' ' 100' ' ' LYS . 14.2 t -65.73 -65.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -48.16 -24.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -118.92 36.56 4.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.946 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.57 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 61.0 t80 -98.61 172.34 7.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.57 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 4.1 mt-10 -167.01 128.15 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 139.56 -148.39 19.98 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.446 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 2.2 mmtm -121.53 -157.54 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.537 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 3.3 mttt -103.69 27.72 7.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ASP . 56.5 p -122.5 -44.02 2.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.388 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 52' ' ' LYS . 1.3 m-20 -40.49 134.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -32.52 31.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -58.5 -50.68 72.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.537 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 91.0 t80 -51.88 -47.65 64.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.42 -53.34 59.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -42.52 -56.59 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 46.9 mt -58.99 -41.35 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -53.46 -60.38 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 2.3 pt-20 -61.19 -43.76 98.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.46 ' N ' ' CG ' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -55.68 -40.57 72.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.3 mt -64.26 -48.27 76.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' LEU . 3.8 m -59.98 -45.91 91.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 66' ' ' THR . 25.2 mttp -40.07 -40.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -72.23 -44.81 62.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' THR . 52.6 mt -44.9 -54.76 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.2 mt -54.37 -41.36 69.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.445 ' O ' ' CD1' ' A' ' 35' ' ' ILE . . . -69.54 -19.66 63.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.46 ' CD1' HG21 ' A' ' 94' ' ' VAL . 22.9 mt -99.18 5.16 46.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.425 ' C ' ' N ' ' A' ' 75' ' ' VAL . 14.1 t0 -122.52 -38.87 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -13.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.042 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.717 ' HB ' ' CZ ' ' A' ' 87' ' ' ARG . 54.6 t -82.76 128.34 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -120.79 108.57 36.86 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.529 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 18.0 Cg_endo -75.02 -58.82 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.472 1.775 . . . . 0.0 110.945 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 77' ' ' PRO . 0.5 OUTLIER 33.98 89.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 134.45 -61.12 0.64 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -93.59 138.69 31.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.61 -52.46 5.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.05 -38.44 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.529 ' CG1' ' HB3' ' A' ' 77' ' ' PRO . 40.1 t -66.99 -57.79 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.496 ' HG2' ' CG ' ' A' ' 77' ' ' PRO . 4.3 mtt180 -45.25 -49.64 12.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.18 -63.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 89' ' ' ASP . . . -42.01 -51.82 4.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.717 ' CZ ' ' HB ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -40.3 -69.82 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -20.96 4.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -79.31 -72.73 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 86' ' ' ALA . . . -37.42 -62.86 0.88 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.458 ' CG2' ' N ' ' A' ' 92' ' ' ARG . 17.8 m -47.48 -54.27 3.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.458 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 0.5 OUTLIER -47.02 -55.65 7.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.452 ' CE ' HD11 ' A' ' 97' ' ' ILE . 23.5 tptt -43.94 -58.82 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 72' ' ' LEU . 95.0 t -55.6 -56.66 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 94' ' ' VAL . 68.9 mt-30 -37.47 -60.82 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.7 m -48.39 -47.8 37.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.373 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.48 ' CG2' ' HG2' ' A' ' 43' ' ' GLU . 46.6 mt -61.79 -35.36 67.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.416 ' CD1' HD11 ' A' ' 69' ' ' LEU . 6.0 mt -66.91 -31.74 72.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -86.4 -25.51 25.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.535 ' HG3' ' CG1' ' A' ' 46' ' ' VAL . 2.7 ptmt -74.82 -37.68 62.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.453 ' CD1' HG22 ' A' ' 46' ' ' VAL . 52.2 tp -59.01 -57.56 12.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.97 -52.8 8.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -57.76 -50.22 73.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 1.1 mmpt? -41.36 -63.99 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.49 ' O ' ' CB ' ' A' ' 106' ' ' SER . . . -38.48 -62.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 105' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.415 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 61.8 t-80 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.4 Cg_endo -74.99 -36.06 2.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.77 . . . . 0.0 110.987 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.415 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -55.62 -32.75 58.62 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 32' ' ' VAL . 62.6 t -77.45 -56.83 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.773 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.9 mt -43.35 -35.92 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -48.78 -37.42 19.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.481 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.9 OUTLIER -76.73 -48.97 24.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.481 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 2.4 mm-40 -52.46 -47.35 66.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.51 -30.15 68.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.491 ' CG2' ' OE1' ' A' ' 68' ' ' GLU . 89.7 mt -80.77 -53.4 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.601 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 3.9 mm? -63.24 -16.45 60.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.4 tt0 -60.56 -35.13 75.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 39' ' ' VAL . 0.5 OUTLIER -73.84 -64.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.601 ' CG1' ' HA ' ' A' ' 36' ' ' LEU . 3.0 p -37.06 -49.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -41.55 -57.12 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.7 -34.44 56.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.528 HD22 ' CG ' ' A' ' 64' ' ' TYR . 0.7 OUTLIER -81.56 -19.15 42.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.302 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.474 ' HB2' ' CD1' ' A' ' 97' ' ' ILE . 25.7 tt0 -79.94 -30.8 39.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -70.22 -31.72 69.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -71.02 -28.19 64.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.539 ' CG1' ' HG3' ' A' ' 100' ' ' LYS . 3.4 t -63.14 -53.61 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -57.96 -19.51 30.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.35 31.13 5.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.557 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 1.4 t80 -104.17 167.33 9.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.557 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 8.5 mt-10 -157.14 137.85 13.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 146.36 -146.33 16.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.41 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -140.72 -169.53 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.754 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.605 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 3.7 mttp -82.68 6.87 16.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.8 -35.97 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.54 126.31 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.4 tptt -54.48 -25.4 25.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -64.48 -47.63 78.26 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.605 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 62.1 t80 -55.52 -47.81 75.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.5 mp -51.83 -50.84 60.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.546 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 9.9 mtp -47.09 -51.4 17.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.7 mt -67.13 -49.37 73.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -44.2 -65.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.268 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 5.3 pt-20 -55.85 -45.51 78.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.546 ' CD2' ' O ' ' A' ' 60' ' ' MET . 0.4 OUTLIER -51.82 -36.71 48.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 15.8 mt -70.45 -73.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 69' ' ' LEU . 1.5 m -38.28 -35.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.44 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER -39.06 -46.53 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.491 ' OE1' ' CG2' ' A' ' 35' ' ' ILE . 15.3 mm-40 -66.88 -41.52 87.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -46.15 -54.09 9.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.404 ' N ' ' CD2' ' A' ' 70' ' ' LEU . 1.8 mm? -58.68 -38.47 78.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.475 ' HB3' ' CD1' ' A' ' 35' ' ' ILE . . . -70.02 -16.5 63.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.497 ' CD2' HD23 ' A' ' 36' ' ' LEU . 12.1 mt -88.24 -22.83 23.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -86.78 -40.67 14.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.57 -28.89 49.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.055 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.4 t -75.66 114.16 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -104.15 112.69 65.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 79' ' ' GLY . 18.4 Cg_endo -74.95 -22.99 14.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.534 1.807 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 68.58 -60.47 0.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 77' ' ' PRO . . . -171.27 35.43 0.16 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.464 ' CB ' HG21 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -111.62 122.07 46.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 82' ' ' ASP . . . -67.79 -56.13 10.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 81' ' ' ALA . 13.9 m-20 -38.16 -47.46 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.464 HG21 ' CB ' ' A' ' 80' ' ' ARG . 8.4 t -71.52 -60.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -41.78 -34.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.451 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -64.43 -71.75 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.468 ' CB ' HG22 ' A' ' 32' ' ' VAL . . . -41.91 -55.71 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -50.7 26.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -58.51 -47.51 83.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -61.68 -51.1 69.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.32 -50.28 56.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.447 ' N ' HD12 ' A' ' 72' ' ' LEU . 12.7 t -55.66 -39.64 56.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -73.16 -29.79 63.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.79 -65.95 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.484 ' CG1' HD11 ' A' ' 69' ' ' LEU . 11.9 t -47.9 -61.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 94' ' ' VAL . 7.4 mm-40 -38.41 -59.32 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.8 m -44.81 -55.0 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 43' ' ' GLU . 45.2 mt -50.92 -52.61 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 65' ' ' LEU . 2.4 mm? -47.87 -39.78 19.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.62 -28.66 61.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.539 ' HG3' ' CG1' ' A' ' 46' ' ' VAL . 1.2 ptmt -78.88 -38.98 36.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.579 HD11 ' CE1' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -59.05 -61.93 2.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 105' ' ' ALA . 50.7 mt-10 -37.52 -70.16 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 102' ' ' GLU . 52.6 mm-40 -38.0 -52.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 3.7 mmpt? -48.89 -50.04 36.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 102' ' ' GLU . . . -64.79 -38.06 89.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.8 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.48 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 62.9 t-80 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -35.87 2.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.48 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -54.17 -33.99 52.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.2 t -77.27 -55.51 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 mt -46.5 -35.15 5.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -45.21 -33.0 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.469 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.9 OUTLIER -83.09 -47.86 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.469 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 4.7 mt-10 -48.63 -39.8 25.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.82 -31.94 71.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.47 ' O ' HG12 ' A' ' 39' ' ' VAL . 57.5 mt -79.77 -59.36 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.609 ' O ' HG23 ' A' ' 39' ' ' VAL . 2.7 mm? -47.97 -28.09 2.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -12.66 44.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.3 mtpp -112.38 -8.35 13.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 36' ' ' LEU . 1.3 m -89.81 -44.28 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.42 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 7.5 mm-40 -46.83 -38.92 11.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.69 -27.91 73.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.152 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 39' ' ' VAL . 70.2 mt -85.6 -21.57 28.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -77.95 -40.0 40.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.46 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 12.8 pt20 -58.25 -41.97 85.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -62.41 -38.8 91.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 49' ' ' PHE . 11.9 t -59.74 -71.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' VAL . 1.1 t0 -40.57 -29.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.452 ' N ' ' C ' ' A' ' 46' ' ' VAL . 82.2 p -123.66 47.74 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.003 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 46' ' ' VAL . 3.1 t80 -106.48 153.5 22.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.47 131.27 27.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.94 -135.83 5.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' C ' ' CB ' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -152.64 -171.88 4.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 0.779 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.603 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 4.1 mtmp? -86.91 -7.2 58.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.6 p -103.95 -18.01 14.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 110.386 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -66.02 154.21 40.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -47.97 39.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -44.3 -41.64 6.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.603 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 74.9 t80 -63.47 -44.25 94.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.8 mt -59.33 -34.0 71.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.455 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.2 mtp -61.29 -53.0 62.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.1 mt -65.75 -39.97 86.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -57.87 -53.77 54.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 3.9 pt-20 -64.71 -43.79 92.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.461 ' N ' ' CG ' ' A' ' 63' ' ' GLU . 1.8 m-85 -59.12 -30.22 67.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.443 HD23 ' CG2' ' A' ' 97' ' ' ILE . 20.5 mt -73.08 -65.26 0.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.7 m -44.13 -46.2 8.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.415 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -41.3 -42.01 2.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.433 ' CB ' HG11 ' A' ' 39' ' ' VAL . 37.9 mm-40 -70.54 -43.26 69.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.435 ' CD2' HG12 ' A' ' 94' ' ' VAL . 24.6 mt -48.38 -57.71 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -53.14 -34.5 57.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.44 -24.77 63.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.422 HD21 ' CD2' ' A' ' 36' ' ' LEU . 22.6 mt -80.2 -51.63 8.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -12.94 37.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.6 t -75.0 -2.03 25.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.3 t -96.93 130.71 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -109.04 100.98 42.89 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.425 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 18.2 Cg_endo -74.97 -21.47 15.9 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.481 1.78 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.61 -62.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -174.89 33.76 0.1 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.445 1.09 . . . . 0.0 111.028 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -102.62 118.82 37.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.773 . . . . 0.0 110.269 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.61 -58.83 6.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.1 -56.03 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.425 ' CG1' ' HB3' ' A' ' 77' ' ' PRO . 21.7 t -62.14 -53.73 43.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.9 mtt-85 -42.74 -51.17 5.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.349 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -58.53 -56.56 20.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -42.99 -56.19 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -52.61 51.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -58.51 -46.25 87.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.56 -46.85 86.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.434 ' CA ' HD23 ' A' ' 36' ' ' LEU . . . -53.81 -64.11 4.53 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 92' ' ' ARG . 16.8 m -53.67 -45.8 60.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.411 ' N ' HG22 ' A' ' 91' ' ' VAL . 1.2 ttt85 -57.74 -56.58 20.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -51.18 -32.06 22.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' ILE . 81.0 t -78.9 -54.95 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -40.36 -54.87 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.492 ' O ' ' CG ' ' A' ' 100' ' ' LYS . 2.0 m -44.24 -38.76 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.443 ' CG2' HD23 ' A' ' 65' ' ' LEU . 34.6 mt -61.05 -51.57 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.434 HD11 ' CD1' ' A' ' 65' ' ' LEU . 4.0 mm? -53.82 -47.66 70.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -34.0 75.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.237 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 96' ' ' THR . 7.8 mmmt -67.71 -58.56 4.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 105' ' ' ALA . 0.1 OUTLIER -40.57 -51.19 2.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 105' ' ' ALA . 2.5 mt-10 -41.39 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -48.23 -36.59 14.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.459 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -63.6 -31.67 72.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . -107.53 39.74 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.957 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.497 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 66.2 t-80 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.449 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.4 Cg_endo -74.95 -36.55 2.53 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.497 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -60.46 -29.54 69.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 32' ' ' VAL . 91.5 t -82.66 -58.23 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 mt -43.35 -35.72 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.25 -37.28 22.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 109.35 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -76.1 -43.67 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.35 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 37' ' ' GLU . 2.2 mt-10 -57.04 -41.28 78.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 37' ' ' GLU . . . -65.48 -40.39 93.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.463 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 24.4 mt -75.28 -25.11 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.568 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 31.1 mt -91.33 -10.99 39.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -68.43 -34.13 75.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -73.6 -58.22 3.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.568 ' CG1' ' HA ' ' A' ' 36' ' ' LEU . 2.8 p -41.83 -50.79 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.655 ' NE2' ' HZ1' ' A' ' 93' ' ' LYS . 4.9 mm-40 -38.95 -48.51 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.94 -40.73 99.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.44 1.087 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -75.67 -21.13 57.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.278 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 39' ' ' VAL . 33.8 tt0 -74.24 -46.82 39.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -57.14 -29.94 64.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -69.85 -35.99 75.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.461 HG22 ' CD1' ' A' ' 101' ' ' LEU . 2.8 t -62.42 -67.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.434 ' N ' HG12 ' A' ' 46' ' ' VAL . 20.8 t0 -40.03 -30.25 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.44 ' N ' ' C ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -127.47 47.08 2.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.997 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.644 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 2.5 t80 -99.9 172.46 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.644 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 11.1 pt-20 -178.75 132.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.456 ' C ' ' HG2' ' A' ' 52' ' ' LYS . . . 152.78 -19.57 0.77 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.456 ' HG2' ' C ' ' A' ' 51' ' ' GLY . 1.6 mmmt 85.39 -173.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.569 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 84.7 mttt -83.32 6.53 19.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.78 -26.82 12.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.422 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.402 ' HB2' ' HA3' ' A' ' 51' ' ' GLY . 22.4 t0 -65.28 136.17 56.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -17.7 10.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -56.79 9.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 89.2 t80 -51.65 -46.6 63.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.9 mp -56.36 -50.6 71.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.43 -61.18 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.447 HG23 ' CD2' ' A' ' 101' ' ' LEU . 54.9 mt -45.25 -51.9 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -42.26 -72.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.342 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 4.9 pt-20 -54.22 -45.61 72.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.481 ' N ' ' CG ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER -50.32 -33.55 20.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.481 HD11 ' CD2' ' A' ' 98' ' ' LEU . 9.9 mt -71.49 -47.66 54.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 69' ' ' LEU . 1.5 m -61.87 -38.49 88.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -35.21 -43.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.517 ' CG ' ' HB ' ' A' ' 39' ' ' VAL . 5.2 mm-40 -75.63 -46.16 33.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.498 ' CD2' ' HB ' ' A' ' 94' ' ' VAL . 60.6 mt -56.41 -48.67 76.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.559 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -61.3 -44.57 96.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.94 -14.58 61.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 68' ' ' GLU . 14.3 mt -84.44 -19.03 34.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -78.78 -22.39 46.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.51 -18.0 58.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.6 t -75.08 113.41 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -108.5 112.82 60.63 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -29.31 8.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.809 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 68.33 12.52 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.48 -29.84 4.4 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -45.41 118.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.51 -54.22 15.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.89 -33.61 7.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.9 t -85.95 -52.3 12.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -49.36 -38.13 27.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' A' ' 87' ' ' ARG . 1.3 tt0 -73.31 -61.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 85' ' ' GLN . . . -39.91 -31.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 85' ' ' GLN . 0.2 OUTLIER -73.5 -60.72 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -60.16 -33.84 72.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.19 -41.32 61.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.465 ' CA ' HD11 ' A' ' 36' ' ' LEU . . . -68.77 -61.21 4.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.446 1.092 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.48 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 27.3 m -47.48 -38.81 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 93' ' ' LYS . 1.0 OUTLIER -57.66 -58.2 9.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.655 ' HZ1' ' NE2' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -39.71 -51.19 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.234 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.498 ' HB ' ' CD2' ' A' ' 69' ' ' LEU . 3.6 t -64.31 -54.25 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 94' ' ' VAL . 48.6 mt-30 -36.97 -62.48 0.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 100' ' ' LYS . 2.8 m -53.98 -57.22 11.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 43.1 mt -48.81 -41.52 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.481 ' CD2' HD11 ' A' ' 65' ' ' LEU . 1.9 mt -59.79 -50.44 73.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -69.03 -23.57 64.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.432 ' HD3' ' CG1' ' A' ' 46' ' ' VAL . 0.8 OUTLIER -72.88 -44.24 61.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.461 ' CD1' HG22 ' A' ' 46' ' ' VAL . 54.9 tp -44.92 -56.39 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 105' ' ' ALA . 31.5 mt-10 -38.13 -66.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -44.74 -36.95 3.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 101' ' ' LEU . 2.8 mmpt? -67.81 -37.87 82.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 102' ' ' GLU . . . -93.46 29.73 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.977 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.503 ' O ' HD22 ' A' ' 30' ' ' LEU . 59.0 t-80 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.501 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.07 -34.97 3.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.81 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.458 ' H ' ' CE1' ' A' ' 26' ' ' HIS . . . -51.18 -25.57 11.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 32' ' ' VAL . 12.4 t -88.73 -47.19 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.753 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.614 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -61.73 -29.77 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.79 -33.8 37.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 33' ' ' GLU . 0.9 OUTLIER -82.57 -39.68 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 32' ' ' VAL . 2.2 mt-10 -55.13 -45.63 75.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.28 93.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.482 HG22 ' CB ' ' A' ' 71' ' ' ALA . 67.6 mt -71.41 -41.7 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.591 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 77.0 mt -73.64 -14.0 61.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -34.27 77.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -74.2 -62.36 1.54 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.591 ' CG1' ' HA ' ' A' ' 36' ' ' LEU . 2.8 p -38.23 -47.34 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -41.85 -53.44 3.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.274 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.98 -29.77 75.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 64' ' ' TYR . 3.1 mt -80.88 -20.2 42.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.496 ' OE2' ' CE ' ' A' ' 100' ' ' LYS . 4.6 tm-20 -69.8 -51.31 34.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -52.29 -33.42 42.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.38 -36.79 85.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 100' ' ' LYS . 3.6 t -67.39 -66.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -43.17 -27.87 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -123.99 45.02 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.617 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 14.5 t80 -98.9 171.45 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.617 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 19.4 mt-10 -154.75 136.09 14.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 135.61 -152.03 20.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.411 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 5.9 mmmt -132.02 -155.38 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.791 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.596 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 4.7 mtmp? -95.1 16.36 16.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' ASP . 58.9 p -122.06 -42.05 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' THR . 49.5 t0 -39.36 136.36 0.92 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -55.87 -27.94 54.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -62.69 -52.88 61.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.596 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 67.6 t80 -47.36 -45.78 25.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.433 ' N ' HD13 ' A' ' 59' ' ' LEU . 6.2 mp -66.22 -54.44 25.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.605 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 2.3 ttp -43.2 -40.5 3.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.438 ' O ' ' HB2' ' A' ' 64' ' ' TYR . 33.1 mt -77.75 -53.13 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.439 ' C ' ' CD ' ' A' ' 62' ' ' GLU . 8.4 tm-20 -36.86 -46.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 3.6 pt-20 -70.3 -46.54 64.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 60' ' ' MET . 13.7 m-30 -50.81 -44.92 59.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.564 ' CD1' ' N ' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -65.97 -77.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.473 HG23 ' CD2' ' A' ' 70' ' ' LEU . 1.2 m -35.74 -40.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.399 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -35.23 -50.69 0.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.481 ' CG ' ' HB ' ' A' ' 39' ' ' VAL . 7.0 mm-40 -69.43 -45.97 67.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -42.45 -48.26 5.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.473 ' CD2' HG23 ' A' ' 66' ' ' THR . 3.8 mm? -67.49 -50.48 58.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.482 ' CB ' HG22 ' A' ' 35' ' ' ILE . . . -57.42 -18.9 20.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.483 HD12 ' CD2' ' A' ' 36' ' ' LEU . 56.3 mt -81.79 -25.47 35.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -87.54 -31.08 20.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.9 t -60.09 -17.92 43.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.429 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 77.9 t -80.82 128.13 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -109.01 103.38 52.04 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.03 -24.95 12.28 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 77.25 -64.12 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -171.69 32.17 0.13 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.412 ' CB ' HG22 ' A' ' 83' ' ' VAL . 2.4 mmp_? -99.53 123.63 43.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 0.801 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.92 -59.75 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -41.9 -36.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.428 ' CG1' ' HB3' ' A' ' 77' ' ' PRO . 39.8 t -82.19 -58.07 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -40.14 -37.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -67.3 -63.89 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.14 -56.21 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.429 ' NE ' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -49.09 -63.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.33 -57.27 4.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.06 -48.26 67.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.18 -51.65 54.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.406 ' N ' HD11 ' A' ' 72' ' ' LEU . 25.2 t -58.53 -47.3 88.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -63.78 -34.3 77.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.28 -66.96 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 97' ' ' ILE . 63.6 t -46.75 -55.06 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.355 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -38.9 -54.51 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.4 m -57.33 -42.13 81.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.48 ' CG2' ' HG2' ' A' ' 43' ' ' GLU . 28.3 mt -66.25 -38.8 82.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.401 ' CD1' ' OG1' ' A' ' 66' ' ' THR . 8.5 mt -68.24 -36.96 80.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.82 -26.15 54.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.496 ' CE ' ' OE2' ' A' ' 43' ' ' GLU . 22.5 ttpt -70.86 -57.0 5.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.521 HD22 ' CD1' ' A' ' 58' ' ' TYR . 27.7 tp -41.35 -49.13 3.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -41.86 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -52.93 -33.92 52.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -61.6 -30.16 70.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.411 ' CB ' ' HA ' ' A' ' 52' ' ' LYS . . . -92.26 -42.26 9.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.499 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.0 t-80 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.3 Cg_endo -75.01 -35.71 2.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.452 1.764 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.499 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -58.08 -34.56 73.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.6 t -76.88 -55.89 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 0.731 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.2 mt -44.35 -35.43 2.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -41.08 -33.6 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.482 HG21 ' CB ' ' A' ' 86' ' ' ALA . 1.0 OUTLIER -88.13 -44.17 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.416 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 1.7 mt-10 -51.51 -35.87 42.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.75 -32.94 74.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.496 ' CG2' ' OE1' ' A' ' 68' ' ' GLU . 8.2 mt -82.5 -57.08 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.421 ' CD1' ' HG2' ' A' ' 93' ' ' LYS . 4.0 mm? -44.76 -36.9 3.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.46 -46.01 73.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -71.73 -45.96 60.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.485 ' CG1' ' CD1' ' A' ' 97' ' ' ILE . 72.0 t -44.36 -60.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -38.79 -45.98 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.29 -43.95 89.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.47 HD11 ' CB ' ' A' ' 64' ' ' TYR . 30.9 mt -64.6 -53.32 49.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 0.74 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.502 ' HA ' HG12 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -55.71 -30.26 60.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -67.15 -28.94 68.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.12 -34.2 20.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.525 ' O ' ' CE ' ' A' ' 104' ' ' LYS . 0.9 OUTLIER -72.99 -49.0 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.486 ' N ' ' CG2' ' A' ' 46' ' ' VAL . 6.5 t70 -50.38 -24.67 3.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.5 t -133.83 41.51 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.674 ' CD1' ' N ' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -94.68 168.62 10.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.956 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.674 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 2.1 mt-10 -149.17 133.9 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.253 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 138.77 -157.92 24.9 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.143 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.5 -154.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.576 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 43.9 mttt -91.82 16.53 10.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.0 p -114.02 -42.96 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.353 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.45 121.76 6.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -44.55 36.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.65 -61.81 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.602 ' CE1' HD11 ' A' ' 101' ' ' LEU . 39.4 t80 -44.7 -49.86 10.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.4 mp -52.91 -51.0 62.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.564 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.4 ttp -46.2 -45.94 17.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.465 ' CG2' ' CD1' ' A' ' 65' ' ' LEU . 38.5 mt -62.69 -66.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 61' ' ' ILE . 5.0 tm-20 -34.24 -62.95 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.55 -61.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.564 ' CD2' ' O ' ' A' ' 60' ' ' MET . 19.3 m-85 -51.62 -49.49 62.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.465 ' CD1' ' CG2' ' A' ' 61' ' ' ILE . 10.3 mp -47.64 -73.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' LEU . 3.1 m -50.73 -47.14 59.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.367 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -43.63 -38.74 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.496 ' OE1' ' CG2' ' A' ' 35' ' ' ILE . 67.4 mm-40 -72.72 -39.44 66.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -53.13 -52.28 59.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -57.83 -28.9 64.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.58 -16.28 54.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.2 mt -83.69 -27.81 28.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -97.38 -17.09 19.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.2 t -64.31 -37.04 86.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.027 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.564 ' CG2' ' HD2' ' A' ' 87' ' ' ARG . 11.7 m -62.87 146.09 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -110.96 117.8 49.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.476 ' HA ' ' CG1' ' A' ' 83' ' ' VAL . 18.3 Cg_endo -74.97 -25.83 11.54 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 65.84 10.11 6.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.239 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 109.79 -26.65 13.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -53.28 110.91 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.769 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 82' ' ' ASP . . . -54.4 -54.1 45.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 81' ' ' ALA . 3.8 m-20 -40.16 -50.32 2.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 77' ' ' PRO . 61.6 t -61.92 -60.48 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.468 ' HG2' ' CG ' ' A' ' 77' ' ' PRO . 6.0 mtm105 -46.74 -46.54 20.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.361 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -43.52 -63.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.482 ' CB ' HG21 ' A' ' 32' ' ' VAL . . . -59.57 -50.5 73.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.564 ' HD2' ' CG2' ' A' ' 75' ' ' VAL . 0.5 OUTLIER -53.85 -21.1 6.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -96.8 -58.04 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.32 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -53.53 -47.96 69.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.66 -45.25 78.79 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.5 t -57.1 -42.88 80.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 0.771 . . . . 0.0 109.329 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -66.73 -33.27 75.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.421 ' HG2' ' CD1' ' A' ' 36' ' ' LEU . 1.4 tptt -65.92 -51.45 58.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.413 HG21 ' CG1' ' A' ' 39' ' ' VAL . 86.9 t -61.61 -53.45 48.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -42.78 -59.01 2.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.127 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.4 m -41.42 -47.68 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 100' ' ' LYS . 68.9 mt -58.07 -52.41 58.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.4 mt -48.25 -27.17 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -87.48 -27.79 22.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 97' ' ' ILE . 10.0 ptmt -78.05 -47.16 19.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.602 HD11 ' CE1' ' A' ' 58' ' ' TYR . 0.3 OUTLIER -64.13 -62.04 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 101' ' ' LEU . 21.3 mt-10 -37.29 -41.11 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -71.44 -45.2 63.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.525 ' CE ' ' O ' ' A' ' 46' ' ' VAL . 5.4 mmmt -41.23 -48.41 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.2 -50.89 64.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.49 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 55.3 t-80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -38.75 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.777 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.49 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -56.37 -25.42 48.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 32' ' ' VAL . 42.8 t -85.94 -54.65 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 0.736 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mt -44.11 -35.48 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -50.83 -36.1 35.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.088 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.46 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -86.29 -46.97 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.46 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 1.7 mt-10 -55.08 -34.26 63.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.79 78.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.7 mt -81.05 -46.41 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 mt -48.18 -49.81 31.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.42 -36.84 10.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -75.31 -44.74 43.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.506 HG12 ' CD1' ' A' ' 97' ' ' ILE . 76.8 t -44.63 -61.59 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 39' ' ' VAL . 8.8 mm100 -37.53 -49.52 1.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.91 -45.6 55.84 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.428 1.08 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.523 ' CD1' ' OE1' ' A' ' 68' ' ' GLU . 16.5 mt -62.87 -55.86 22.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.51 ' O ' HG21 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -55.06 -32.96 62.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.443 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 21.1 mt-30 -63.41 -27.98 69.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -83.37 -40.57 19.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.53 ' CG2' ' N ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -65.78 -51.54 60.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.53 ' N ' ' CG2' ' A' ' 46' ' ' VAL . 2.9 t70 -56.97 -22.95 42.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.2 t -125.24 32.67 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.964 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.582 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 5.8 t80 -98.72 168.54 10.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.582 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 1.3 tt0 -150.63 127.2 10.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.63 -154.9 25.84 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.48 -164.46 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.737 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.604 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 14.6 mttt -81.54 3.69 24.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.94 -26.92 10.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 58' ' ' TYR . 52.4 t0 -51.79 128.07 22.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.06 -33.45 65.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -59.64 -54.25 48.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.604 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 40.9 t80 -46.01 -50.34 15.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 mp -53.6 -52.56 59.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.553 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 7.0 mtp -48.19 -48.43 34.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.458 ' CG2' HD22 ' A' ' 101' ' ' LEU . 39.9 mt -66.13 -45.41 90.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.4 1.063 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -54.05 -55.58 26.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -60.74 -37.14 80.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 60' ' ' MET . 1.4 m-85 -61.9 -59.87 4.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.465 HD11 ' CD2' ' A' ' 98' ' ' LEU . 5.6 mt -38.43 -40.75 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 69' ' ' LEU . 50.5 m -64.19 -50.63 67.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.428 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 4.9 mttt -38.43 -38.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.523 ' OE1' ' CD1' ' A' ' 42' ' ' LEU . 22.2 mp0 -83.11 -39.8 20.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -63.4 -45.67 89.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.626 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -73.2 -33.62 65.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 67' ' ' LYS . . . -71.53 -6.77 43.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.0 mt -95.54 -20.7 18.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -81.49 -26.62 35.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 t -67.51 -13.64 62.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.6 t -80.51 130.25 36.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -119.81 113.03 34.75 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.413 ' O ' ' CD ' ' A' ' 80' ' ' ARG . 18.3 Cg_endo -74.98 -35.85 2.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 71.35 8.87 6.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 108.85 59.28 0.53 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.413 ' CD ' ' O ' ' A' ' 77' ' ' PRO . 2.0 mtt180 -140.41 104.17 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 85' ' ' GLN . . . -45.44 -55.7 5.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.67 -61.78 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 42.4 t -60.01 -56.82 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 87' ' ' ARG . 28.4 mtt-85 -43.72 -69.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' ARG . 0.9 OUTLIER -38.62 -58.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.56 -41.99 74.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -58.56 -33.1 69.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.66 -52.99 5.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -42.3 -57.77 2.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.82 -57.27 18.7 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.426 ' O ' ' CG ' ' A' ' 95' ' ' GLN . 35.3 t -51.39 -41.13 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -31.81 71.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.88 -55.8 6.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.469 ' CG1' HD13 ' A' ' 69' ' ' LEU . 10.8 t -55.14 -43.84 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 4.9 mm-40 -52.93 -56.79 13.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.6 m -52.44 -48.69 65.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.506 ' CD1' HG12 ' A' ' 39' ' ' VAL . 71.8 mt -55.0 -51.5 53.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.465 ' CD2' HD11 ' A' ' 65' ' ' LEU . 1.2 mt -47.15 -40.0 14.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.34 -25.87 58.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 97' ' ' ILE . 28.1 ttpt -70.57 -66.75 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.458 HD22 ' CG2' ' A' ' 61' ' ' ILE . 14.2 tp -37.37 -47.45 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.9 -66.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -56.14 -32.8 64.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.448 ' HD3' ' O ' ' A' ' 46' ' ' VAL . 1.5 mmpt? -61.53 -34.97 76.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -94.67 44.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.17 97.95 3.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.016 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.64 168.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.36 99.68 0.13 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.82 116.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 p -169.45 160.59 9.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.038 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.72 -169.55 42.29 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.53 81.33 0.27 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.565 0.803 . . . . 0.0 109.252 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 93.42 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.465 1.771 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.48 84.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -143.39 119.18 6.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.319 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 166.48 29.12 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.78 112.67 1.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.0 68.89 4.99 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.24 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 130.86 13.61 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.504 1.792 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -174.39 164.06 3.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 m -103.65 78.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.64 92.87 0.5 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -39.05 154.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 63.56 172.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 68.32 176.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 13.0 m -46.45 143.26 4.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.438 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 18.1 Cg_endo -75.04 166.29 29.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 172.03 17.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.789 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -79.57 158.09 27.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.48 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.6 t-80 -82.64 139.78 44.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.582 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.3 Cg_endo -75.03 -36.63 2.42 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.463 1.77 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.48 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -60.1 -26.72 63.9 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 32' ' ' VAL . 93.6 t -86.81 -58.47 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -43.35 -35.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -53.85 -42.25 68.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' VAL . 0.8 OUTLIER -79.33 -46.31 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 68.6 mt-10 -54.6 -32.3 58.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.84 -43.73 87.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 38' ' ' LYS . 6.8 mt -69.93 -56.21 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.406 ' CD2' ' HD3' ' A' ' 93' ' ' LYS . 7.8 mt -43.09 -50.6 6.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.74 -39.39 3.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 35' ' ' ILE . 4.6 mttp -74.31 -48.04 30.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 42' ' ' LEU . 95.3 t -42.02 -53.06 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -39.22 -41.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.87 -45.24 93.12 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.116 . . . . 0.0 111.053 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 39' ' ' VAL . 82.1 mt -65.06 -26.85 68.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' CG ' HD12 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -72.74 -51.55 18.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -47.11 -35.34 6.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.272 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -66.62 -46.47 75.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.459 ' CG2' ' HG ' ' A' ' 101' ' ' LEU . 24.2 t -58.9 -61.96 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -46.66 -27.16 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.67 40.51 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.583 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 45.3 t80 -104.29 171.63 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.583 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 20.7 tt0 -170.14 132.11 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 153.9 -128.19 2.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.414 ' C ' ' CB ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -149.12 -171.8 3.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.593 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 8.5 mttt -86.69 -11.6 50.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.1 p -97.7 -40.45 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.411 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -40.11 147.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 59' ' ' LEU . 2.6 tmtt? -66.65 -49.12 67.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.13 -45.18 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.593 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 75.9 t80 -63.9 -42.34 97.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 56' ' ' LYS . 49.7 mt -56.06 -41.45 75.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.593 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 37.0 mtp -58.37 -52.51 65.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 111.045 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.3 mt -67.79 -42.85 86.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -54.01 -55.65 25.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 4.1 pt-20 -63.61 -43.91 95.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 60' ' ' MET . 1.8 m-85 -56.9 -42.14 79.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 53.9 mt -59.75 -57.38 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.9 m -55.6 -45.22 77.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -41.01 -42.6 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.367 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -70.73 -42.08 71.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.281 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.466 ' CD2' ' HB ' ' A' ' 94' ' ' VAL . 19.2 mt -49.66 -59.91 3.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 mt -50.11 -37.03 32.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.27 -28.21 63.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 69' ' ' LEU . 68.9 mt -77.18 -34.93 56.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.72 -39.19 37.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.0 t -47.48 -24.4 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.954 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.451 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 76.3 t -70.6 130.37 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -108.4 103.77 51.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 79' ' ' GLY . 18.3 Cg_endo -75.04 -28.29 9.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.81 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 69.0 -59.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' PRO . . . -177.73 40.16 0.09 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.473 1.108 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.07 115.45 25.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.31 -54.71 43.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.9 -36.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.3 t -84.18 -56.85 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -46.3 -56.37 5.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.556 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 4.5 pt20 -49.5 -49.27 46.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.556 ' N ' ' CG ' ' A' ' 85' ' ' GLN . . . -59.94 -46.62 88.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.451 ' NE ' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -58.16 -61.5 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -27.56 29.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -76.42 -59.98 2.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -51.88 -45.36 55.82 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.7 t -64.16 -48.94 83.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -59.73 -33.94 72.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.406 ' HD3' ' CD2' ' A' ' 36' ' ' LEU . 2.0 tttt -64.06 -68.32 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.466 ' HB ' ' CD2' ' A' ' 69' ' ' LEU . 47.2 t -42.8 -52.39 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -44.49 -55.11 5.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 21.3 m -53.08 -34.54 57.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.414 HD12 ' CG ' ' A' ' 43' ' ' GLU . 31.2 mt -68.91 -42.16 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.95 -48.08 80.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.89 -28.88 69.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.417 ' NZ ' HG13 ' A' ' 46' ' ' VAL . 19.0 ttpp -79.11 -46.0 18.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.57 HD11 ' CE1' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -49.12 -68.67 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 103' ' ' GLN . 8.4 pt-20 -39.31 -40.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 102' ' ' GLU . 4.2 mm-40 -70.42 -47.72 59.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 101' ' ' LEU . 2.8 mmpt? -54.26 -34.87 61.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.414 ' CB ' ' C ' ' A' ' 52' ' ' LYS . . . -74.83 -40.88 60.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.5 t -77.32 0.08 23.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 115.16 133.24 5.39 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.74 6.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.463 1.77 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.7 t -173.06 98.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.04 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 55.9 p -169.62 106.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.961 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.119 . . . . 0.0 110.95 179.927 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.6 152.34 21.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.3 128.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.57 112.8 0.52 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.3 p -177.05 139.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 p -163.06 175.49 11.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.97 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.65 -152.17 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.541 1.151 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.45 68.01 20.48 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 177.83 8.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.76 111.06 4.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -130.02 116.28 17.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 168.46 24.79 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.44 1.758 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 14' ' ' ALA . . . -86.55 -164.91 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.474 ' N ' ' CD ' ' A' ' 15' ' ' PRO . . . 166.81 -53.95 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -74.95 138.53 23.29 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.534 1.808 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.42 165.57 35.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 t -160.66 153.54 21.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.027 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.88 -72.67 0.29 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 175.96 145.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -176.76 166.53 2.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -43.78 155.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.2 m -130.1 93.78 32.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.378 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 167.89 26.01 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 127.55 10.76 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.446 ' HE2' ' CD2' ' A' ' 30' ' ' LEU . 1.1 pttm -142.71 -123.75 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.499 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.7 t-80 -108.49 138.07 20.13 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.621 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 26' ' ' HIS . 18.3 Cg_endo -75.07 -35.04 3.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.946 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.499 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -50.61 -37.32 33.47 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.406 ' O ' HG22 ' A' ' 32' ' ' VAL . 22.0 t -78.86 -59.36 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.446 ' CD2' ' HE2' ' A' ' 25' ' ' LYS . 4.4 mt -44.67 -35.68 2.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -48.48 -28.57 3.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.467 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -93.58 -47.66 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.467 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 13.4 mt-10 -48.49 -35.23 12.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.21 73.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.477 ' CG2' ' HB3' ' A' ' 68' ' ' GLU . 9.8 mt -82.49 -55.54 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -42.09 -48.83 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.59 -39.91 17.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 41' ' ' GLY . 3.3 mtpp -76.29 -48.64 19.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.438 HG22 ' CG2' ' A' ' 94' ' ' VAL . 74.5 t -42.86 -49.67 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -47.51 -38.54 14.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.345 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . -67.08 -29.73 74.92 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 39' ' ' VAL . 85.8 mt -82.95 -20.6 34.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.445 ' OE2' ' NZ ' ' A' ' 100' ' ' LYS . 1.4 tm-20 -74.06 -57.82 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.478 ' CG ' ' N ' ' A' ' 45' ' ' ALA . 14.5 pt20 -44.89 -46.08 10.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.478 ' N ' ' CG ' ' A' ' 44' ' ' GLN . . . -54.52 -45.05 73.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 101' ' ' LEU . 29.2 t -62.43 -67.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.26 -27.35 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -124.49 45.36 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' ALA . 45.2 t80 -99.31 157.73 16.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -142.45 129.27 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.78 -161.09 24.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.417 ' C ' ' CB ' ' A' ' 105' ' ' ALA . 3.3 mmtt -121.88 -164.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.747 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.546 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 8.8 mttp -82.18 4.91 21.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.8 p -104.94 -47.11 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.442 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.03 134.25 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.73 -37.93 60.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -49.12 -48.9 44.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.57 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 82.5 t80 -55.36 -46.03 76.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.408 HD11 ' N ' ' A' ' 59' ' ' LEU . 5.7 mp -62.43 -51.3 68.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.516 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 18.0 mtp -47.33 -53.73 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.85 -41.62 90.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -52.41 -60.22 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 4.1 pt-20 -60.82 -45.19 95.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.516 ' CD2' ' O ' ' A' ' 60' ' ' MET . 1.2 m-85 -52.57 -43.53 65.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.472 ' CD2' HG22 ' A' ' 97' ' ' ILE . 68.6 mt -61.16 -63.09 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.9 m -47.96 -42.35 27.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -46.01 -37.96 7.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.477 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 41.6 mm-40 -74.31 -32.75 62.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.477 ' CD2' ' HB ' ' A' ' 94' ' ' VAL . 66.9 mt -61.58 -54.98 35.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.04 -34.62 66.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.44 -25.51 62.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.4 mt -82.65 -32.09 28.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.49 -30.55 64.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.2 t -64.19 -17.81 63.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 68.9 t -80.12 123.66 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.28 107.59 59.76 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.479 ' CG ' ' HG2' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.07 -19.95 17.19 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 77' ' ' PRO . 3.3 mt-10 68.52 -62.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' PRO . . . 179.72 36.23 0.07 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.427 ' NH1' ' CD2' ' A' ' 26' ' ' HIS . 2.5 mtp180 -114.85 115.8 27.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 0.734 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.86 -50.84 69.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -43.01 -32.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 85' ' ' GLN . 17.0 t -94.78 -62.82 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.479 ' HG2' ' CG ' ' A' ' 77' ' ' PRO . 2.6 mtt180 -37.72 -30.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.452 ' NE2' HH12 ' A' ' 88' ' ' ARG . 2.5 tp60 -75.25 -74.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.41 -29.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.445 ' N ' ' C ' ' A' ' 85' ' ' GLN . 2.9 ttt-85 -75.41 -63.92 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.452 HH12 ' NE2' ' A' ' 85' ' ' GLN . 0.4 OUTLIER -56.73 -26.2 56.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -75.1 -41.65 58.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.59 -48.39 68.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.14 -43.13 92.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.477 0.751 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -64.79 -33.12 75.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -64.54 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.477 ' HB ' ' CD2' ' A' ' 69' ' ' LEU . 21.2 t -46.37 -57.37 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -38.86 -59.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.3 m -52.21 -46.8 65.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.404 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.472 HG22 ' CD2' ' A' ' 65' ' ' LEU . 67.0 mt -56.53 -45.11 82.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 65' ' ' LEU . 6.3 mt -64.98 -31.3 72.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -77.03 -18.29 58.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.445 ' NZ ' ' OE2' ' A' ' 43' ' ' GLU . 24.6 ttpt -84.28 -53.69 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.466 ' HB2' ' CG2' ' A' ' 46' ' ' VAL . 15.3 tp -48.77 -49.85 36.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 101' ' ' LEU . 30.7 mt-10 -37.79 -58.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.26 -41.0 94.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.258 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -55.17 -31.45 61.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.57 ' HB1' ' CE1' ' A' ' 58' ' ' TYR . . . -97.26 27.73 4.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 t -135.89 8.94 3.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -120.32 -173.84 15.13 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 141.57 26.87 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.53 1.805 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 89.0 p -109.59 177.91 4.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.056 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 71.5 m 62.82 118.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.036 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 p -139.74 92.6 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.949 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.0 p -171.73 167.01 6.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.81 81.22 0.25 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.47 99.29 3.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 110.041 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -171.56 170.29 5.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.955 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.12 -141.0 3.16 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -135.51 91.99 17.86 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 147.24 33.63 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.98 160.32 30.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -158.67 106.4 1.62 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 163.5 35.28 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 67.32 133.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.57 114.04 0.51 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -172.42 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.99 -37.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.31 172.45 6.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.959 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 168.71 -88.86 0.09 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.568 1.168 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 49.12 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -172.48 160.46 4.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.93 155.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 m -148.75 102.12 3.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 168.05 25.67 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 127.61 10.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HE2' ' CD2' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -111.4 -133.67 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.488 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 49.0 t-80 -101.16 135.7 19.86 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.542 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.414 ' HD2' ' ND1' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.05 -34.44 3.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.488 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -55.43 -32.38 57.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.042 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.8 t -81.23 -58.6 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CD2' ' HE2' ' A' ' 25' ' ' LYS . 4.6 mt -43.78 -36.04 2.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -47.72 -33.04 6.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.469 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -87.52 -47.15 15.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.469 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 17.8 mt-10 -55.15 -41.89 72.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.4 -32.44 68.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.47 ' CG2' ' HB3' ' A' ' 68' ' ' GLU . 20.8 mt -81.74 -54.6 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 mt -43.52 -38.81 3.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.2 -46.9 82.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -66.5 -40.26 89.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.466 ' CG1' HD12 ' A' ' 97' ' ' ILE . 73.0 t -50.43 -45.25 25.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -46.62 -36.66 7.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.49 -30.0 62.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.56 1.162 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.464 ' CD1' ' OE2' ' A' ' 68' ' ' GLU . 52.3 mt -85.4 -25.44 27.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.498 ' OE2' ' CE ' ' A' ' 100' ' ' LYS . 2.9 tm-20 -68.96 -46.69 67.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.43 ' CG ' ' N ' ' A' ' 45' ' ' ALA . 6.5 pt20 -56.03 -42.82 77.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' A' ' 44' ' ' GLN . . . -56.63 -36.63 69.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.475 ' CG2' ' HG ' ' A' ' 101' ' ' LEU . 9.9 t -68.87 -67.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -49.27 -22.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.0 t -118.86 37.19 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.58 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 58.7 t80 -97.89 172.16 7.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.58 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 4.7 pt-20 -165.18 125.59 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 147.22 -139.66 8.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.15 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.474 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -143.31 -172.69 3.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.589 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 2.9 mttp -83.26 3.35 31.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.9 p -109.28 -30.99 7.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.415 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -56.29 132.86 51.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -52.69 -39.32 61.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.25 -56.34 6.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.589 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 69.1 t80 -49.57 -49.18 47.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.5 mp -56.42 -53.06 61.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.457 ' O ' ' CG ' ' A' ' 64' ' ' TYR . 3.9 ttp -46.92 -31.5 3.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.481 HG21 ' CD1' ' A' ' 65' ' ' LEU . 97.2 mt -87.49 -54.96 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -39.33 -39.51 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 3.1 pt-20 -71.87 -44.18 64.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.468 ' N ' ' O ' ' A' ' 61' ' ' ILE . 17.0 m-30 -58.1 -40.43 81.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.481 ' CD1' HG21 ' A' ' 61' ' ' ILE . 6.7 mp -65.31 -78.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.45 HG23 ' CD2' ' A' ' 70' ' ' LEU . 1.8 m -36.98 -40.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.458 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.2 OUTLIER -37.45 -46.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.47 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 0.9 OUTLIER -68.14 -50.04 57.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 66' ' ' THR . 63.6 mt -42.88 -46.51 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.45 ' CD2' HG23 ' A' ' 66' ' ' THR . 4.4 mm? -63.45 -41.69 98.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' GLU . . . -67.91 -33.15 74.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' GLU . 24.0 mt -67.12 -34.79 78.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -76.74 -36.74 56.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.4 t -55.06 -19.07 6.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.018 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.4 t -82.56 137.83 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -127.13 112.7 21.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.02 -33.28 4.68 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.466 1.772 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 67.11 21.68 10.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.45 -29.26 6.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -46.11 113.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.9 -52.08 47.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -48.67 -36.02 15.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.402 ' CG1' ' HB3' ' A' ' 77' ' ' PRO . 92.3 t -83.25 -51.17 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -50.57 -43.48 56.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -64.05 -60.81 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' ARG . . . -41.59 -62.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -37.91 -52.72 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.285 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.71 -64.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -47.56 -56.49 7.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -49.72 -49.33 34.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.3 t -64.17 -56.65 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -49.97 -37.84 34.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -75.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.462 HG13 ' CD2' ' A' ' 98' ' ' LEU . 22.3 t -42.09 -45.49 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -48.8 -58.8 4.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.3 m -50.13 -38.28 38.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.388 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.466 HD12 ' CG1' ' A' ' 39' ' ' VAL . 13.2 mt -63.67 -46.46 94.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.462 ' CD2' HG13 ' A' ' 94' ' ' VAL . 1.0 OUTLIER -53.68 -47.02 70.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.81 -24.86 66.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.498 ' CE ' ' OE2' ' A' ' 43' ' ' GLU . 13.0 ttpt -75.65 -58.92 2.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.586 HD13 ' CD1' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -39.84 -48.01 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.364 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 105' ' ' ALA . 3.6 mt-10 -47.84 -78.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 107' ' ' GLY . 0.0 OUTLIER -43.44 -38.34 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 2.8 mmpt? -57.7 -43.03 84.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 52' ' ' LYS . . . -74.81 -44.63 48.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.092 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.406 ' HB2' ' CE ' ' A' ' 53' ' ' LYS . 23.3 t -74.05 -1.2 19.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.959 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 103' ' ' GLN . . . -123.7 149.61 16.89 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 149.94 37.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.548 1.815 . . . . 0.0 111.048 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.8 t -174.34 165.8 4.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.002 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.16 100.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 74.17 -69.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.003 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t 67.56 166.08 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.55 -56.07 0.36 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.93 134.87 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 110.028 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.3 p -177.74 163.1 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.71 -108.73 0.21 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.49 1.118 . . . . 0.0 111.038 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 69.77 75.58 0.25 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.425 0.721 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -176.94 3.14 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.454 1.765 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 11' ' ' GLU . . . -170.11 169.0 8.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER 178.14 91.23 0.15 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 176.45 9.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.9 166.36 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.28 152.9 4.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 131.31 14.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.32 -93.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.9 170.71 18.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.047 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.492 ' O ' ' CG ' ' A' ' 19' ' ' GLU . . . -121.84 51.19 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 18' ' ' GLY . 7.4 pt-20 47.8 -175.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.761 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.21 155.14 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.85 141.39 13.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 1.0 OUTLIER -152.65 135.89 9.64 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.355 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 18.4 Cg_endo -74.97 171.87 17.47 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.467 1.772 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 127.11 10.39 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.548 1.815 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.462 ' HE2' ' CD2' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -110.68 -134.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 109.344 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.485 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 55.7 t-80 -100.67 135.24 20.16 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.04 -33.84 4.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.485 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -56.12 -30.41 57.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 32' ' ' VAL . 39.6 t -82.95 -57.63 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.462 ' CD2' ' HE2' ' A' ' 25' ' ' LYS . 4.4 mt -43.64 -34.82 1.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -50.56 -36.77 36.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.47 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -79.72 -47.76 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.47 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 30.2 mt-10 -56.33 -34.38 66.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.25 -34.62 76.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.47 ' CG2' ' HB3' ' A' ' 68' ' ' GLU . 6.8 mt -81.61 -54.41 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.2 mt -40.44 -49.94 2.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -44.78 19.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' ILE . 0.5 OUTLIER -68.2 -49.78 58.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.8 t -44.52 -52.96 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -41.82 -52.7 3.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.32 -38.93 63.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.4 mt -73.5 -36.63 65.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.471 ' HB2' ' CD1' ' A' ' 97' ' ' ILE . 0.1 OUTLIER -67.82 -34.94 77.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.43 -30.42 70.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.64 -29.41 65.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.545 ' CG1' ' HG3' ' A' ' 100' ' ' LYS . 2.7 t -72.74 -60.95 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -40.82 -31.17 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.9 m -121.93 50.48 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.493 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 9.2 t80 -109.89 163.56 13.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.493 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 2.2 tt0 -147.9 134.19 19.51 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.53 -158.83 24.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -123.32 -151.66 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.591 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 15.8 mttp -100.75 15.56 27.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.6 p -116.88 -39.82 3.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.419 ' O ' ' CD2' ' A' ' 59' ' ' LEU . 1.2 m-20 -47.57 137.4 9.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -34.87 37.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' MET . 2.8 ttmt -51.1 -60.1 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.591 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 57.7 t80 -43.74 -52.49 6.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.434 HD11 ' CD2' ' A' ' 58' ' ' TYR . 1.0 OUTLIER -66.58 -27.57 67.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.618 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.5 ttp -66.13 -42.55 88.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.52 HG22 ' CD1' ' A' ' 65' ' ' LEU . 50.6 mt -77.14 -58.32 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -37.29 -61.07 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.349 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.62 -64.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.618 ' CD2' ' O ' ' A' ' 60' ' ' MET . 22.0 m-85 -47.71 -47.01 30.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.52 ' CD1' HG22 ' A' ' 61' ' ' ILE . 10.8 mp -54.26 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' LEU . 9.1 m -46.51 -44.86 18.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -43.65 -39.66 3.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.47 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 8.3 mm-40 -70.46 -39.83 74.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.48 HD13 ' CG1' ' A' ' 94' ' ' VAL . 0.0 OUTLIER -47.76 -57.0 6.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mt -52.29 -34.33 46.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.93 -26.03 60.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' LEU . 52.4 mt -78.74 -32.35 46.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.86 -35.66 22.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.1 t -49.39 -23.33 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.462 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 70.5 t -70.9 136.25 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -114.94 102.82 54.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -22.05 15.18 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.18 -61.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -174.48 36.58 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.401 ' CB ' HG21 ' A' ' 83' ' ' VAL . 6.1 mmt180 -102.3 143.48 32.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.39 -57.92 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.09 -33.13 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.401 HG21 ' CB ' ' A' ' 80' ' ' ARG . 18.6 t -84.37 -57.02 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -40.51 -41.92 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -61.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.78 -56.4 2.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.462 ' NE ' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -47.3 -55.37 8.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -53.79 -61.59 2.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.9 -55.44 11.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -46.8 -38.97 10.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.6 t -81.86 -33.33 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 92' ' ' ARG . 5.4 tpt180 -65.86 -33.12 75.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -66.63 -52.21 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.48 ' CG1' HD13 ' A' ' 69' ' ' LEU . 12.4 t -58.93 -56.38 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -38.58 -56.93 1.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.6 m -51.9 -49.64 62.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.383 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.471 ' CD1' ' HB2' ' A' ' 43' ' ' GLU . 26.0 mt -57.34 -43.75 82.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.504 HD23 ' CD2' ' A' ' 65' ' ' LEU . 2.6 mm? -55.83 -30.94 62.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -83.66 -27.56 29.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.545 ' HG3' ' CG1' ' A' ' 46' ' ' VAL . 2.8 ptmt -73.67 -44.88 55.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.48 HD13 ' CG2' ' A' ' 46' ' ' VAL . 46.3 tp -48.6 -58.33 4.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 105' ' ' ALA . 6.7 mt-10 -36.93 -66.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -45.43 -44.61 12.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -64.43 -34.63 78.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 102' ' ' GLU . . . -100.05 29.52 4.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 t -134.85 8.96 3.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 126.72 133.85 3.91 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 168.17 25.41 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.6 t -151.07 -58.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.961 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.6 t -50.88 -56.64 11.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.975 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.453 1.095 . . . . 0.0 110.99 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m 64.08 163.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 109.988 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.99 -165.09 1.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.11 -84.25 0.14 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 54.39 95.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.785 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 t 179.02 114.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.51 163.46 29.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.103 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.07 154.67 81.76 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 120.11 5.93 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.77 158.82 2.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -166.45 72.96 1.17 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.24 16.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.444 1.76 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' A' ' 14' ' ' ALA . . . -176.29 139.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.469 ' N ' ' CD ' ' A' ' 15' ' ' PRO . . . 166.03 -53.89 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.0 157.33 42.83 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -159.05 -82.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.7 167.03 23.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 164.22 65.14 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -91.21 133.47 35.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 0.734 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.68 167.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.69 126.48 1.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -178.57 150.88 0.7 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.372 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 170.92 19.35 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 171.38 18.44 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 110.97 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HD3' ' N ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -124.63 -112.28 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.454 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 54.1 t-80 -101.31 136.62 19.62 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.423 ' HD2' ' ND1' ' A' ' 26' ' ' HIS . 18.3 Cg_endo -74.99 -39.01 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.454 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -54.85 -27.22 43.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.43 ' O ' HG21 ' A' ' 32' ' ' VAL . 94.2 t -85.85 -59.08 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.425 ' CD2' ' HD2' ' A' ' 25' ' ' LYS . 4.0 mt -42.78 -33.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -51.01 -36.99 42.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.483 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 1.0 OUTLIER -84.91 -48.17 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 39.3 mt-10 -52.78 -32.86 45.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.49 -38.86 88.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 68' ' ' GLU . 8.4 mt -76.37 -59.63 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.1 mt -40.29 -43.62 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -49.68 -46.86 50.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' ILE . 25.2 mtpt -70.03 -46.52 64.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 42' ' ' LEU . 53.2 t -40.84 -55.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -38.92 -48.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.47 -46.54 92.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.529 ' CD1' ' CD ' ' A' ' 68' ' ' GLU . 8.5 mt -65.25 -24.51 67.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' VAL . 3.8 tm-20 -71.16 -53.27 15.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -43.33 -41.64 4.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.91 96.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' GLU . 21.3 t -66.52 -50.75 64.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -60.82 -15.18 27.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.5 42.69 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' A' ' 50' ' ' GLU . 3.6 t80 -103.18 166.81 10.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.64 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 3.0 pt-20 -165.52 128.1 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 152.97 -135.35 4.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.21 -176.38 4.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.579 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 48.5 mttt -77.82 -11.47 59.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.8 p -92.48 -42.03 9.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.364 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -41.82 136.87 1.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 57' ' ' LYS . 23.4 tptt -54.43 -48.98 71.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' LYS . 1.3 tppt? -40.25 -61.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.579 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 89.1 t80 -42.51 -50.08 5.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.0 mp -57.43 -55.66 31.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.572 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.3 mtp -43.13 -48.95 6.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.9 mt -69.08 -43.23 81.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.4 ' C ' ' CD ' ' A' ' 62' ' ' GLU . 3.4 tm-20 -54.73 -53.57 53.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.341 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 2.8 pt-20 -64.01 -43.58 95.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.572 ' CD2' ' O ' ' A' ' 60' ' ' MET . 1.7 m-85 -58.34 -48.66 79.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.433 ' HA ' ' OE1' ' A' ' 68' ' ' GLU . 64.3 mt -54.05 -71.55 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 69' ' ' LEU . 1.3 m -43.63 -42.92 5.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -38.92 -45.57 1.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.529 ' CD ' ' CD1' ' A' ' 42' ' ' LEU . 13.9 mp0 -68.1 -47.08 69.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.482 ' CD2' ' HA ' ' A' ' 91' ' ' VAL . 81.4 mt -41.82 -54.27 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 mt -53.19 -43.66 67.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' GLU . . . -66.2 -23.02 66.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.458 ' CB ' HG11 ' A' ' 91' ' ' VAL . 21.2 mt -85.36 -51.35 6.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.467 ' O ' ' NH2' ' A' ' 87' ' ' ARG . 0.2 OUTLIER -64.52 -21.97 66.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.4 t -70.72 -5.52 30.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.476 ' O ' ' CZ ' ' A' ' 87' ' ' ARG . 59.4 t -84.15 130.5 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -110.95 99.38 42.48 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 79' ' ' GLY . 18.4 Cg_endo -74.96 -28.38 9.3 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.464 1.77 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 77' ' ' PRO . 0.3 OUTLIER 68.94 -59.07 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 77' ' ' PRO . . . -176.08 43.83 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -117.85 97.78 6.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 82' ' ' ASP . . . -40.14 -57.47 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 81' ' ' ALA . 0.6 OUTLIER -39.64 -49.58 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.347 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 84' ' ' ARG . 13.9 t -76.24 -62.33 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' VAL . 25.8 mtp180 -36.79 -41.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ARG . 1.0 OUTLIER -71.0 -66.63 0.59 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.244 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -44.94 -59.1 2.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.476 ' CZ ' ' O ' ' A' ' 75' ' ' VAL . 49.7 ttt180 -48.13 -26.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' GLN . 1.2 mtt-85 -82.4 -61.95 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -50.89 -22.21 2.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.86 -67.37 2.0 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.482 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 14.8 m -56.59 -34.5 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.421 ' N ' HG23 ' A' ' 91' ' ' VAL . 27.5 mtm180 -60.17 -44.43 95.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -53.47 -60.58 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.47 ' HB ' ' CD2' ' A' ' 69' ' ' LEU . 13.0 t -47.4 -54.93 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -42.23 -52.01 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.9 m -57.71 -41.39 81.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 57.1 mt -61.89 -41.74 91.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -56.98 -51.38 69.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.253 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -54.28 -37.44 64.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 101' ' ' LEU . 4.8 mtpt -61.44 -71.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.602 ' CD1' ' CD2' ' A' ' 49' ' ' PHE . 31.4 tp -40.52 -53.02 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -38.36 -57.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -34.38 78.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 101' ' ' LEU . 28.8 mmmt -60.42 -57.61 12.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.46 ' CB ' ' CE1' ' A' ' 49' ' ' PHE . . . -84.28 48.08 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.66 5.58 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 163.45 164.51 18.71 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 128.81 11.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.2 t -149.6 -49.71 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.993 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 89.1 p -118.82 155.22 31.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.553 1.158 . . . . 0.0 111.038 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -163.71 170.53 16.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.4 p -155.86 170.75 21.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.68 153.73 5.96 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -178.68 125.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.82 154.08 0.31 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.082 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.71 157.85 7.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.59 67.8 24.64 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.29 3.36 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.056 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 178.16 60.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -171.47 115.65 0.43 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 1.53 7.62 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.83 140.38 1.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -179.18 70.79 0.19 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -177.14 3.27 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.02 -175.16 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.11 168.93 24.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.019 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.47 -95.07 0.21 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 55.55 -176.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.777 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.37 -171.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -40.56 137.03 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -128.52 138.52 33.24 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.406 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.0 15.25 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.498 1.788 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 127.04 10.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 111.04 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.04 -133.09 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.443 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 62.7 t-80 -101.33 137.79 19.75 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.626 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -35.82 2.9 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.58 1.831 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.443 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -55.02 -36.65 61.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' LEU . 39.6 t -74.77 -59.08 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' VAL . 5.2 mt -39.92 -35.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.478 ' HG2' ' CG1' ' A' ' 75' ' ' VAL . 1.6 tttt -42.36 -35.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.458 HG23 ' CB ' ' A' ' 86' ' ' ALA . 1.2 m -84.32 -43.68 17.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.411 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 2.4 mt-10 -53.41 -34.26 57.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.73 -33.44 75.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.429 ' CG2' ' HB3' ' A' ' 68' ' ' GLU . 13.1 mt -81.42 -54.72 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.088 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.8 mt -43.14 -37.54 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -45.65 -41.99 10.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.488 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -69.46 -49.0 59.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.514 ' CG1' ' CD1' ' A' ' 97' ' ' ILE . 84.0 t -45.81 -37.55 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -55.9 -31.92 63.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . -74.75 -27.68 64.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -91.18 -30.71 16.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 0.735 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.52 -43.35 85.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -71.65 -28.87 64.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -72.51 -48.81 37.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.418 ' CG2' ' HG ' ' A' ' 101' ' ' LEU . 11.0 t -56.24 -59.44 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.78 -35.34 4.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.95 49.05 1.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.964 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 31.0 t80 -107.98 163.06 13.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 4.9 tt0 -156.38 132.61 9.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 152.91 -131.02 3.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.481 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -154.5 -171.34 3.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.596 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 5.0 mtmt -90.81 2.89 55.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.7 p -114.11 -19.1 11.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.392 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.38 159.94 17.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -75.24 -54.02 7.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -40.53 -46.9 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.596 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 63.5 t80 -54.81 -46.95 74.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.26 -34.25 73.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.454 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.2 ttp -60.26 -48.48 81.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.8 mt -66.55 -44.48 90.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -50.75 -66.13 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.35 -58.92 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.478 ' CB ' ' CD1' ' A' ' 42' ' ' LEU . 14.0 m-85 -51.68 -61.54 2.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 42' ' ' LEU . 55.7 mt -39.38 -63.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 69' ' ' LEU . 3.4 m -57.89 -48.41 79.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 110.393 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' THR . 58.5 mttt -39.82 -48.65 2.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.429 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 5.8 mm-40 -63.98 -42.44 97.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 66' ' ' THR . 47.1 mt -52.38 -58.0 8.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -47.36 -39.11 14.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.4 ' CB ' HG21 ' A' ' 35' ' ' ILE . . . -73.02 -32.91 65.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' LEU . 18.5 mt -65.03 -30.71 71.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -94.54 -17.61 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.8 t -61.8 -39.81 93.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.543 ' CG2' ' HD2' ' A' ' 87' ' ' ARG . 4.7 m -61.88 143.91 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.3 118.2 46.14 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.437 ' CB ' ' HG3' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.02 -20.34 16.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.555 1.819 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.446 ' OE1' ' NH1' ' A' ' 80' ' ' ARG . 16.2 mt-10 75.91 -66.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -173.88 33.69 0.11 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.446 ' NH1' ' OE1' ' A' ' 78' ' ' GLU . 0.5 OUTLIER -114.6 157.97 22.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.44 -42.76 8.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 1.178 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.29 -42.1 60.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.7 t -69.47 -55.82 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 88' ' ' ARG . 59.3 mtp180 -52.85 -47.17 67.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -44.24 -61.86 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.458 ' CB ' HG23 ' A' ' 32' ' ' VAL . . . -61.39 -48.9 79.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.543 ' HD2' ' CG2' ' A' ' 75' ' ' VAL . 0.8 OUTLIER -56.8 -18.51 13.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 84' ' ' ARG . 1.5 ttt180 -100.68 -35.36 9.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -68.3 -64.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -43.88 -31.81 2.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 87' ' ' ARG . 75.8 t -70.92 -52.58 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.99 -24.69 59.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.0 tptm -65.54 -66.4 0.55 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.476 ' CG2' HG22 ' A' ' 39' ' ' VAL . 15.0 t -46.15 -51.3 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -43.73 -50.42 7.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.5 m -58.83 -31.96 68.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.514 ' CD1' ' CG1' ' A' ' 39' ' ' VAL . 29.6 mt -71.22 -39.95 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.461 ' CD2' HG11 ' A' ' 94' ' ' VAL . 2.5 mm? -63.08 -48.79 77.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.23 -21.41 65.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.457 ' O ' ' CG ' ' A' ' 104' ' ' LYS . 15.7 ttpp -89.97 -48.7 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.573 HD11 ' CE1' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -42.2 -55.96 3.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 105' ' ' ALA . 5.3 mt-10 -46.64 -73.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 107' ' ' GLY . 34.2 mt-30 -39.9 -45.63 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 1.4 mmpt? -54.89 -48.35 73.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.239 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.481 ' CB ' ' HA ' ' A' ' 52' ' ' LYS . . . -66.13 -39.28 89.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.5 t -81.9 4.52 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 103' ' ' GLN . . . -84.32 -149.2 9.88 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.8 3.71 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.531 1.806 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 68.0 m -167.07 87.6 0.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.042 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.2 t -130.6 80.14 1.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 p -171.8 131.35 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.23 165.05 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.98 178.82 46.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 p -178.67 172.53 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.961 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -177.46 167.86 2.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.031 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.52 -155.47 31.9 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -161.21 68.47 2.45 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.536 0.786 . . . . 0.0 109.294 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -164.72 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.481 1.78 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.16 73.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.64 133.59 8.55 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -174.62 2.01 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.4 -178.31 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.15 151.27 27.4 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.41 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 18.4 Cg_endo -74.95 177.11 9.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 15' ' ' PRO . 1.7 mttt -166.37 142.08 4.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.7 p -161.63 165.54 28.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 149.63 59.85 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -92.99 135.68 33.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 0.778 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 173.91 -175.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.02 106.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 1.2 m -161.39 134.6 4.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.406 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 18.2 Cg_endo -75.06 163.75 34.61 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.465 1.771 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 145.58 31.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.45 -97.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.453 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 64.3 t-80 -110.85 139.37 21.63 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.585 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.3 Cg_endo -75.0 -36.58 2.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.78 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.453 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -58.25 -34.02 72.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.549 1.156 . . . . 0.0 111.047 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.45 HG22 ' CG2' ' A' ' 83' ' ' VAL . 82.6 t -76.3 -56.99 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -43.79 -36.54 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -45.5 -29.51 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.9 OUTLIER -87.46 -46.59 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.457 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 6.3 mt-10 -56.21 -33.12 65.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.29 -32.53 72.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.6 mt -81.88 -54.62 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 mt -43.86 -36.86 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -50.41 -38.3 42.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.505 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 25.6 mttt -72.93 -48.54 36.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.501 ' CG1' ' CD1' ' A' ' 97' ' ' ILE . 93.5 t -46.55 -36.68 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.178 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -57.54 -31.08 65.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 110.261 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.87 -25.44 69.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -94.22 -34.49 12.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.745 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 97' ' ' ILE . 0.5 OUTLIER -69.34 -39.6 78.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.255 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.31 -24.89 62.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -80.29 -39.5 28.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.431 ' CG2' HG22 ' A' ' 61' ' ' ILE . 10.9 t -62.78 -52.99 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -57.99 -19.3 29.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.46 16.73 15.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.544 ' CD2' HD12 ' A' ' 101' ' ' LEU . 43.6 t80 -94.16 138.98 31.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -138.27 21.27 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.43 ' HA3' ' CE1' ' A' ' 49' ' ' PHE . . . -82.14 -142.28 3.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.448 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 0.2 OUTLIER -147.81 -170.79 3.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.771 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -84.74 7.15 21.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.5 p -114.12 -32.9 5.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -54.16 155.75 3.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.44 -43.55 63.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -46.19 -48.77 17.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.566 ' CE1' ' HG ' ' A' ' 101' ' ' LEU . 67.5 t80 -55.7 -41.2 73.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.2 mt -69.26 -33.6 73.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.599 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 3.2 mtp -68.93 -45.48 70.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.439 ' CG2' HD13 ' A' ' 65' ' ' LEU . 47.3 mt -67.38 -31.46 53.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -70.53 -53.03 17.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.255 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 2.8 pt-20 -55.5 -44.75 76.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 60' ' ' MET . 21.2 m-85 -67.02 -60.8 2.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.439 HD13 ' CG2' ' A' ' 61' ' ' ILE . 34.8 mt -38.11 -50.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.2 m -65.05 -46.21 82.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.438 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 64' ' ' TYR . 25.1 mttp -45.19 -41.73 8.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -70.13 -33.59 72.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.472 HD22 ' CG2' ' A' ' 94' ' ' VAL . 30.8 mt -61.92 -58.34 8.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -51.43 -35.36 39.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.37 -26.3 61.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' LEU . 36.1 mt -79.65 -28.63 40.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -78.02 -37.62 46.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -57.06 -17.33 9.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 75.6 t -82.63 121.25 35.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -113.94 111.89 47.84 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -22.92 14.2 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 73.74 -63.94 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -164.94 31.37 0.23 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -105.61 130.89 53.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 110.341 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.92 -43.25 18.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.13 -30.52 59.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.45 ' CG2' HG22 ' A' ' 29' ' ' VAL . 39.9 t -86.17 -48.24 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.26 -47.63 68.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.549 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 6.4 pt20 -56.92 -48.92 77.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.549 ' N ' ' CG ' ' A' ' 85' ' ' GLN . . . -64.84 -44.45 89.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -43.65 97.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -60.02 -49.38 77.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER -62.32 -35.69 79.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.257 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.29 -60.95 7.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.463 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 3.2 m -68.08 -48.74 73.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.738 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.456 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 0.2 OUTLIER -52.13 -35.88 49.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.461 ' CE ' HD11 ' A' ' 97' ' ' ILE . 6.2 tptm -63.22 -48.1 79.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.472 ' CG2' HD22 ' A' ' 69' ' ' LEU . 19.0 t -65.25 -57.77 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 94' ' ' VAL . 28.2 mt-30 -36.63 -44.65 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.3 m -67.03 -51.88 49.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.501 ' CD1' ' CG1' ' A' ' 39' ' ' VAL . 12.9 mt -57.58 -40.97 77.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.8 mt -58.76 -46.16 88.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -31.88 72.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.41 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 1.2 mtpt -65.63 -60.71 2.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 58' ' ' TYR . 52.5 tp -40.56 -49.15 2.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -42.57 -70.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -60.01 -45.98 90.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -46.5 -40.31 12.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.448 ' CB ' ' HA ' ' A' ' 52' ' ' LYS . . . -63.98 -41.44 97.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.7 m -78.71 1.94 21.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 112.04 158.77 14.52 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -38.04 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.473 1.775 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.1 p -40.86 103.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.01 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 42.9 m -72.05 171.1 12.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.971 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -159.27 138.15 11.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 110.042 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -154.8 144.94 21.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.72 114.8 1.99 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.11 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.22 164.65 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.69 158.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.22 -172.41 32.63 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.02 91.55 1.37 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 143.06 28.45 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.462 1.769 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.18 77.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -176.48 167.89 1.41 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.98 5.52 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.25 176.75 8.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 65.13 91.2 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -178.03 3.87 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -114.06 166.66 11.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.7 m -156.24 160.66 40.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.02 66.19 0.04 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -70.23 134.58 48.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -163.66 -175.68 4.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.79 163.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.7 m -134.44 92.33 20.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 173.64 14.14 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.563 1.822 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 126.09 9.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.485 ' HE2' ' CD2' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -138.23 -129.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.48 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 62.3 t-80 -101.36 138.52 19.94 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.641 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -36.34 2.59 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.468 1.773 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.48 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -51.94 -34.53 38.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.457 HG12 ' CB ' ' A' ' 86' ' ' ALA . 31.3 t -79.54 -54.92 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.361 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.485 ' CD2' ' HE2' ' A' ' 25' ' ' LYS . 6.0 mt -45.76 -36.86 5.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.38 -34.51 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.9 OUTLIER -83.84 -46.48 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.457 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 2.1 mt-10 -54.62 -36.07 64.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.22 -32.97 73.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.473 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 19.6 mt -85.29 -46.08 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.71 -36.82 26.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -39.8 89.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.5 -35.04 60.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' LEU . 42.7 t -50.77 -46.48 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -46.21 -43.4 15.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.98 -28.13 72.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 64' ' ' TYR . 65.9 mt -86.87 -22.1 25.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' HB2' ' CD1' ' A' ' 97' ' ' ILE . 0.1 OUTLIER -86.15 -35.26 20.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.436 ' CG ' ' N ' ' A' ' 45' ' ' ALA . 11.0 pt20 -65.23 -43.78 90.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -58.71 -32.04 68.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.517 ' CG1' ' HG3' ' A' ' 100' ' ' LYS . 4.6 t -66.83 -61.31 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -48.08 -25.78 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.5 t -92.29 -28.49 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.507 ' CD2' HD12 ' A' ' 101' ' ' LEU . 49.2 t80 -65.47 151.9 45.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -154.84 22.34 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.53 -136.92 0.44 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.465 ' C ' ' CB ' ' A' ' 105' ' ' ALA . 0.1 OUTLIER -143.79 -171.52 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.576 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 14.1 mttp -83.35 5.13 24.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -110.87 -50.08 2.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -41.82 138.63 1.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -58.59 -42.88 89.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.84 -56.99 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 63.3 t80 -50.07 -47.29 53.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 111.034 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.3 mp -62.91 -52.8 61.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.605 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 2.2 ttp -45.71 -42.98 12.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.464 ' O ' ' CD1' ' A' ' 65' ' ' LEU . 32.8 mt -77.46 -43.11 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -48.38 -44.4 34.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.469 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 2.4 pt-20 -72.12 -41.95 66.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 60' ' ' MET . 12.1 m-30 -56.53 -39.87 74.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.47 ' CD2' ' HG ' ' A' ' 98' ' ' LEU . 10.4 mp -62.16 -77.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.481 ' HA ' ' CD1' ' A' ' 69' ' ' LEU . 2.1 m -37.5 -42.9 0.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.409 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' THR . 17.9 mttp -39.73 -44.59 1.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.36 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.456 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 5.8 mm-40 -67.65 -45.02 76.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' ' 66' ' ' THR . 10.3 mt -46.78 -50.72 17.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 74' ' ' SER . 3.6 mm? -58.76 -38.35 78.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.473 ' HB1' ' CD1' ' A' ' 35' ' ' ILE . . . -74.71 -20.22 59.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.461 ' CD1' HG23 ' A' ' 94' ' ' VAL . 33.1 mt -89.97 -25.83 20.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -98.95 -15.94 18.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' LEU . 13.9 t -66.1 -37.73 86.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.56 ' CG2' ' HD2' ' A' ' 87' ' ' ARG . 5.3 m -66.64 141.51 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -112.7 117.63 46.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.431 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.02 -22.03 15.2 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.01 32.27 21.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.9 -21.26 44.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -53.5 97.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 0.781 . . . . 0.0 110.335 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.75 -47.02 71.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.88 -43.56 63.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 64.6 t -74.2 -51.07 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.431 ' HG3' ' CG ' ' A' ' 77' ' ' PRO . 4.4 mtt180 -49.22 -48.3 45.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 89' ' ' ASP . 1.1 tt0 -51.19 -59.39 4.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.457 ' CB ' HG12 ' A' ' 29' ' ' VAL . . . -59.2 -36.34 75.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.56 ' HD2' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -64.03 -41.95 97.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -22.76 37.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 85' ' ' GLN . 41.1 t0 -79.03 -45.89 19.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.69 -47.81 82.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.436 HG11 ' CB ' ' A' ' 72' ' ' LEU . 34.7 m -60.32 -44.65 96.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.763 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 23.3 ttt-85 -56.28 -44.88 80.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 110.344 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.55 -47.77 75.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.461 HG23 ' CD1' ' A' ' 72' ' ' LEU . 11.3 t -64.91 -53.19 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -40.56 -58.16 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 99' ' ' GLU . 3.1 m -50.46 -56.46 11.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.407 ' CD1' ' HB2' ' A' ' 43' ' ' GLU . 55.0 mt -47.51 -49.5 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.47 ' HG ' ' CD2' ' A' ' 65' ' ' LEU . 4.2 mt -55.84 -27.97 54.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 96' ' ' THR . 2.8 tt0 -82.73 -28.36 30.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.517 ' HG3' ' CG1' ' A' ' 46' ' ' VAL . 3.6 ptmt -72.74 -44.01 62.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.507 HD12 ' CD2' ' A' ' 49' ' ' PHE . 12.2 tp -52.07 -57.31 9.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 101' ' ' LEU . 54.0 mt-10 -37.39 -57.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -53.36 -41.89 66.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 110.336 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -61.2 -38.44 86.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.465 ' CB ' ' C ' ' A' ' 52' ' ' LYS . . . -96.96 36.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -135.87 8.8 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -157.05 154.98 25.99 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -167.15 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.1 t -65.13 144.36 57.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.1 p -135.09 137.49 42.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t 63.33 114.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.991 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 p 179.15 128.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.021 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.15 134.83 4.99 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.69 167.72 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 110.013 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 m 58.09 160.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.966 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.36 144.92 4.55 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.83 67.46 12.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.335 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -58.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.533 1.807 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 65.69 165.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 68.71 91.85 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -177.19 3.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -159.91 170.75 20.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -179.19 92.33 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -174.69 2.02 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.58 133.04 11.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -178.24 135.26 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -112.58 -81.48 1.1 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.448 1.093 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.91 140.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 110.3 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.82 164.06 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -39.92 115.04 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 1.3 m -158.6 139.96 9.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 18.2 Cg_endo -75.02 173.17 14.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.563 1.823 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 127.29 10.59 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.94 -136.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.488 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 63.6 t-80 -97.99 137.62 20.9 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.616 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.46 2.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.488 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -54.61 -29.03 47.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.5 t -82.97 -56.67 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.774 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 mt -43.83 -35.66 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -48.05 -35.19 10.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -82.76 -46.5 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.447 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 11.3 mt-10 -51.27 -34.65 33.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.22 89.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.7 mt -77.9 -49.19 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 36' ' ' LEU . 3.9 mm? -48.36 -35.12 11.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -48.18 82.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' C ' ' OE2' ' A' ' 68' ' ' GLU . 4.0 mtpp -61.26 -36.62 80.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.489 ' N ' ' OE2' ' A' ' 68' ' ' GLU . 98.9 t -56.62 -33.22 39.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.468 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 8.6 mt-30 -55.64 -30.8 61.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.98 -26.69 68.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.49 ' CD1' ' HB3' ' A' ' 64' ' ' TYR . 1.4 mm? -91.28 -37.16 13.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.439 0.729 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -72.72 -42.59 63.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.468 ' CG ' ' O ' ' A' ' 40' ' ' GLN . 12.9 mm100 -64.29 -31.74 73.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' SER . . . -74.45 -40.12 62.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.532 ' CG1' ' HG3' ' A' ' 100' ' ' LYS . 4.9 t -58.12 -64.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -44.08 -27.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 45' ' ' ALA . 23.4 t -125.08 46.61 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.52 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 2.9 t80 -116.77 165.53 13.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.52 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 2.0 tt0 -160.07 134.3 7.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 159.74 -131.97 2.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.9 -170.88 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.584 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 1.6 mtmp? -88.59 5.69 41.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 71.5 p -114.44 -30.19 6.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.06 156.57 2.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.3 -32.85 38.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -40.7 80.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.606 ' CE2' ' OE1' ' A' ' 62' ' ' GLU . 56.2 t80 -64.38 -43.39 94.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.9 mt -59.14 -35.2 73.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.595 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 3.3 mtp -58.89 -50.69 73.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.1 mt -72.25 -36.54 56.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.606 ' OE1' ' CE2' ' A' ' 58' ' ' TYR . 2.3 tt0 -64.43 -50.39 67.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.477 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 4.5 pt-20 -61.7 -44.53 96.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.344 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 60' ' ' MET . 3.1 m-85 -59.95 -65.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 64' ' ' TYR . 26.4 mt -34.11 -56.34 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' LEU . 3.1 m -57.08 -48.69 77.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.425 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 64' ' ' TYR . 18.5 mttm -47.78 -34.21 8.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.489 ' OE2' ' N ' ' A' ' 39' ' ' VAL . 18.0 mt-10 -74.37 -33.03 62.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -58.76 -55.92 28.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.3 mt -51.35 -33.01 27.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.59 -28.26 65.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' LEU . 17.4 mt -81.56 -29.41 33.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.367 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.12 -39.55 33.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.8 t -53.55 -19.9 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.7 t -74.02 126.96 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -110.26 113.47 56.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.475 ' O ' ' CD ' ' A' ' 80' ' ' ARG . 18.2 Cg_endo -75.02 -32.42 5.37 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 64.43 11.47 6.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 101.87 50.36 1.18 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.475 ' CD ' ' O ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -126.18 101.36 6.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 0.792 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 85' ' ' GLN . . . -39.74 -55.24 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.97 -63.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 t -61.5 -56.19 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -43.56 -31.53 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.454 ' CD ' ' N ' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -76.22 -69.5 0.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.454 ' N ' ' CD ' ' A' ' 85' ' ' GLN . . . -39.32 -32.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -72.3 -67.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.55 -34.88 12.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.69 -54.83 5.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -42.41 -59.86 2.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.9 m -54.11 -45.5 65.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.355 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -46.82 42.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -56.42 -49.62 74.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.465 HG21 ' CG2' ' A' ' 39' ' ' VAL . 59.9 t -64.71 -56.75 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -38.9 -54.84 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.2 m -54.55 -56.84 14.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.366 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 43' ' ' GLU . 40.5 mt -48.04 -53.66 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.452 HD21 ' CD1' ' A' ' 65' ' ' LEU . 7.9 mt -49.08 -35.26 15.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.89 -29.5 50.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.256 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.532 ' HG3' ' CG1' ' A' ' 46' ' ' VAL . 1.1 ptmt -74.32 -39.09 63.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.575 HD12 ' CE1' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -51.89 -55.33 20.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 105' ' ' ALA . 7.2 mt-10 -38.49 -69.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -42.15 -40.74 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -65.16 -44.19 89.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.462 ' CB ' ' CD1' ' A' ' 58' ' ' TYR . . . -92.43 33.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.42 5.91 4.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 152.09 169.94 18.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 163.28 35.69 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.8 t -167.98 -56.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.3 p -93.07 -54.2 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.436 1.085 . . . . 0.0 111.02 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.42 128.35 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 0.806 . . . . 0.0 109.997 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 t -172.58 160.64 4.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.963 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.42 -49.84 0.57 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -42.82 -63.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.002 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 p 52.02 177.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.46 178.38 43.83 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.64 168.18 10.54 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.481 0.754 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.79 41.89 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -174.1 172.91 3.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -73.72 147.95 87.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.415 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 18.4 Cg_endo -75.0 -179.63 5.18 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 12' ' ' PRO . . . 169.06 151.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.22 153.26 3.64 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -178.59 4.27 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.04 103.61 4.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.2 p -173.96 172.2 3.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.79 59.39 0.33 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 58.92 156.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 110.34 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.94 145.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -43.5 145.91 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -161.01 149.66 13.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 169.12 23.31 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.544 1.813 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 125.84 9.6 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.471 1.774 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.19 -132.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.498 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.6 t-80 -96.37 138.07 21.55 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.568 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.75 2.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.498 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -52.58 -33.9 42.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 32' ' ' VAL . 20.4 t -83.79 -57.58 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 mt -43.8 -36.68 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.475 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 6.8 tttt -46.64 -33.03 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.471 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -87.86 -47.34 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.471 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 3.1 mt-10 -55.31 -31.55 61.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.2 -40.47 96.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.475 ' CD1' ' O ' ' A' ' 31' ' ' LYS . 4.1 mt -78.65 -47.79 23.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.0 mt -46.45 -42.87 15.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -56.83 -50.58 71.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -59.78 -44.63 93.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 42' ' ' LEU . 98.9 t -48.03 -48.28 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -39.65 -50.6 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.12 -43.67 88.62 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.445 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 24.6 mt -67.43 -29.66 69.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -77.84 -28.0 50.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.251 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -65.73 -33.25 75.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -71.22 -38.37 72.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.476 ' CG2' ' HB2' ' A' ' 101' ' ' LEU . 22.2 t -65.78 -42.05 91.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.35 -20.81 64.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.18 54.64 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.967 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' A' ' 50' ' ' GLU . 0.9 OUTLIER -102.55 160.24 14.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.578 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 22.3 mt-10 -136.64 116.52 13.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.245 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.55 -179.33 25.48 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -109.71 -167.39 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 0.778 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.435 ' HG2' ' CE2' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -83.64 7.63 16.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -115.58 -32.11 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.91 153.07 2.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -49.45 59.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.83 -46.32 7.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.467 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 41.9 t80 -59.43 -42.08 91.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.6 mt -63.5 -39.57 94.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.51 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 3.2 mtp -57.66 -51.02 71.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.413 ' CG2' HD12 ' A' ' 65' ' ' LEU . 20.9 mt -63.39 -38.52 82.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -56.7 -59.86 4.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 5.4 pt-20 -61.47 -44.77 96.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 60' ' ' MET . 1.9 m-85 -54.18 -44.49 71.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.479 ' CD1' HD13 ' A' ' 98' ' ' LEU . 13.9 mt -60.05 -64.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.5 m -48.41 -44.47 35.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.422 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -40.31 -42.76 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 9.9 mm-40 -69.31 -44.03 72.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 66' ' ' THR . 11.6 mt -48.12 -49.26 32.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -56.25 -16.97 6.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 68' ' ' GLU . . . -82.3 -18.71 41.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.53 ' CB ' ' CG1' ' A' ' 91' ' ' VAL . 0.2 OUTLIER -75.34 -61.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.424 ' HA ' ' NH2' ' A' ' 87' ' ' ARG . 3.8 t70 -50.89 -44.95 59.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.42 -27.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.415 ' N ' ' C ' ' A' ' 73' ' ' ASP . 59.0 t -73.29 132.01 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.5 102.22 46.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -24.0 13.24 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.545 1.813 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 74.39 -64.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.307 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.54 36.8 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.462 ' CB ' HG22 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -108.03 149.37 28.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 110.277 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.83 -48.94 7.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -50.82 -27.86 8.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.462 HG22 ' CB ' ' A' ' 80' ' ' ARG . 13.0 t -90.66 -54.56 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -45.44 -35.18 3.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.245 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -73.75 -59.6 2.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.452 ' CB ' HG22 ' A' ' 32' ' ' VAL . . . -39.13 -46.38 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.424 ' NH2' ' HA ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -57.56 -71.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.91 -52.09 15.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.6 -40.54 79.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 86' ' ' ALA . . . -64.74 -65.23 3.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.53 ' CG1' ' CB ' ' A' ' 72' ' ' LEU . 27.7 m -45.22 -46.18 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -49.57 -57.66 6.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 92' ' ' ARG . 5.0 tptm -37.89 -52.58 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.446 HG12 ' CD2' ' A' ' 98' ' ' LEU . 3.5 t -61.2 -53.6 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -40.8 -58.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.4 m -49.82 -45.64 50.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 16.2 mt -59.78 -36.8 68.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.479 HD13 ' CD1' ' A' ' 65' ' ' LEU . 2.6 mm? -65.3 -55.77 16.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.48 -19.34 36.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 104' ' ' LYS . 4.8 ttpp -76.43 -72.87 0.31 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.572 HD11 ' CD2' ' A' ' 49' ' ' PHE . 8.1 tp -41.68 -46.48 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.76 -44.26 77.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 100' ' ' LYS . 4.0 mm-40 -93.28 9.53 35.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.561 ' HG3' ' N ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -102.05 -47.46 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.561 ' N ' ' HG3' ' A' ' 104' ' ' LYS . . . -59.22 -52.44 65.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.2 t -90.61 1.87 56.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.959 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -66.98 -171.66 4.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 0.0 111.043 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -41.48 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.521 1.801 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 95.7 p -77.26 127.62 32.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.016 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.5 m -128.27 -58.61 1.19 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 110.033 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.458 1.099 . . . . 0.0 110.952 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 p -160.17 152.85 21.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 p -175.69 159.32 2.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.035 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.07 175.49 39.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 p -170.95 147.09 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 110.022 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.77 138.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.84 146.86 16.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.94 151.95 77.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 109.295 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.09 11.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.93 114.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.259 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 177.23 98.48 0.12 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 151.99 40.19 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.52 1.8 . . . . 0.0 111.039 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.01 169.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.52 160.16 52.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.85 12.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 111.042 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -133.52 179.15 6.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.59 149.23 38.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.71 71.51 0.08 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -119.57 164.76 15.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 0.801 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.55 171.59 8.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 61.7 132.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.8 m -149.15 92.36 4.33 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.404 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 171.84 17.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.554 1.818 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 127.05 10.36 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HE3' ' CD2' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -127.7 -140.64 0.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.492 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 59.1 t-80 -91.0 138.0 26.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.42 ' HD2' ' ND1' ' A' ' 26' ' ' HIS . 18.4 Cg_endo -74.98 -35.44 3.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.781 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.492 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -53.97 -34.45 52.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.7 t -75.97 -52.77 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.766 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.476 ' CD2' ' HE3' ' A' ' 25' ' ' LYS . 4.2 mt -47.85 -35.13 9.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -41.46 -40.34 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.9 OUTLIER -77.41 -46.03 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.443 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 3.2 mt-10 -56.0 -32.79 64.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.76 95.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.7 mt -73.21 -48.75 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.454 ' N ' HD21 ' A' ' 36' ' ' LEU . 4.5 mm? -51.52 -34.4 36.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -34.85 73.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -84.26 -44.24 14.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.526 ' CG1' ' CD1' ' A' ' 97' ' ' ILE . 75.0 t -43.63 -47.13 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -45.18 -47.66 12.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.24 -31.42 62.33 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.455 ' CD2' ' HB3' ' A' ' 64' ' ' TYR . 85.4 mt -79.13 -31.01 44.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.472 ' CG ' HG12 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -65.12 -36.76 85.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -60.75 -40.41 92.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -60.85 -50.09 74.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 101' ' ' LEU . 24.2 t -59.21 -61.31 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.18 -25.46 5.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.7 p -118.06 35.98 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.026 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.459 ' CD1' ' HD3' ' A' ' 57' ' ' LYS . 76.7 t80 -100.28 165.68 11.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.454 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 1.9 pt-20 -163.86 120.11 1.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 154.85 -131.91 3.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.5 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -145.82 -169.58 3.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.777 . . . . 0.0 109.267 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.489 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 11.9 mttp -83.39 -13.39 55.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.9 -31.23 16.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.404 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.505 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 12.3 m-20 -55.89 148.1 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 59' ' ' LEU . 2.8 tmtm? -64.38 -46.06 84.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.459 ' HD3' ' CD1' ' A' ' 49' ' ' PHE . 11.7 ttmt -42.65 -31.83 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.489 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 86.7 t80 -80.52 -40.97 25.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 55' ' ' ASP . 8.5 mp -63.65 -52.13 62.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.642 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 3.5 ptm -57.29 -30.48 64.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 64' ' ' TYR . 41.2 mt -77.94 -62.39 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 61' ' ' ILE . 0.6 OUTLIER -36.68 -50.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.573 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -56.23 -46.57 79.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.642 ' CD2' ' O ' ' A' ' 60' ' ' MET . 16.7 m-30 -61.63 -46.58 89.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.461 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 3.9 mp -56.41 -72.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.8 m -44.35 -44.37 8.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.425 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 66' ' ' THR . 10.7 mttt -39.19 -47.32 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.59 -47.27 86.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -46.13 -57.93 4.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.9 mt -48.93 -41.87 35.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.85 -30.96 69.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.559 ' O ' ' CG ' ' A' ' 87' ' ' ARG . 14.1 mt -72.65 -26.32 61.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.33 -29.92 15.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.6 t -53.24 -45.37 68.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.017 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.59 ' CG2' ' HD2' ' A' ' 87' ' ' ARG . 17.7 m -55.79 147.93 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.46 116.42 43.86 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.439 ' HG3' ' NH1' ' A' ' 87' ' ' ARG . 18.3 Cg_endo -75.0 -23.19 14.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 68.08 8.67 6.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 101.52 -6.27 55.25 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.71 102.74 1.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.47 -48.14 19.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.62 -51.59 8.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.4 t -70.46 -59.45 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.438 ' CG ' ' HB2' ' A' ' 77' ' ' PRO . 5.6 mtt180 -38.9 -47.97 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -58.35 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.15 -52.72 24.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.59 ' HD2' ' CG2' ' A' ' 75' ' ' VAL . 3.2 ttp-105 -49.03 -38.02 22.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -68.95 -67.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.36 -55.22 3.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -49.62 -46.17 38.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 87' ' ' ARG . 55.0 t -64.54 -47.13 90.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 0.766 . . . . 0.0 109.328 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.2 -30.82 68.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -67.44 -55.73 12.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.449 HG13 ' CD1' ' A' ' 69' ' ' LEU . 44.1 t -55.2 -50.96 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -45.78 -47.1 15.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.0 m -56.91 -31.2 64.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.526 ' CD1' ' CG1' ' A' ' 39' ' ' VAL . 38.5 mt -68.48 -38.15 78.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 65' ' ' LEU . 4.3 mm? -64.4 -53.37 49.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -18.33 22.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.446 ' O ' ' CG ' ' A' ' 104' ' ' LYS . 24.0 ttpp -83.46 -59.19 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 46' ' ' VAL . 40.8 tp -45.22 -53.83 7.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 101' ' ' LEU . 18.3 mt-10 -38.69 -69.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 107' ' ' GLY . 33.8 mt-30 -51.65 -43.35 62.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 2.3 mmpt? -50.96 -41.8 59.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.5 ' CB ' ' HA ' ' A' ' 52' ' ' LYS . . . -73.27 -45.75 53.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.7 m -69.66 -6.04 28.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 103' ' ' GLN . . . -63.02 -143.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 140.37 25.57 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.6 m -77.55 102.67 7.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.003 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.1 t -63.67 -56.34 16.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.531 1.145 . . . . 0.0 110.953 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.51 158.95 40.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 0.727 . . . . 0.0 110.006 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 m 68.16 130.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.5 -170.38 13.39 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.9 p -177.31 158.08 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -99.21 137.77 37.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 81.26 113.71 0.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.484 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . . . 167.96 -55.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 8' ' ' ALA . 18.2 Cg_endo -75.02 74.91 3.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.77 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -174.18 62.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -162.73 140.79 6.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -178.05 3.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 111.035 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.68 -179.88 4.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.28 152.71 71.51 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -172.61 1.3 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.46 178.19 5.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.42 166.09 10.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.007 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -141.02 57.44 0.58 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.53 1.144 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -167.21 159.2 12.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.13 117.76 34.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -177.51 126.99 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 m -156.76 93.39 2.37 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 172.5 16.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.035 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 126.78 10.14 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.77 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.484 ' HE2' ' CD2' ' A' ' 30' ' ' LEU . 1.1 pttm -135.01 -140.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.432 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 59.4 t-80 -89.97 138.1 27.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.602 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.429 ' HD2' ' ND1' ' A' ' 26' ' ' HIS . 18.5 Cg_endo -74.9 -36.2 2.78 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.5 1.79 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.432 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -52.94 -33.29 43.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.6 t -77.79 -56.67 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.346 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.484 ' CD2' ' HE2' ' A' ' 25' ' ' LYS . 4.8 mt -42.49 -36.25 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.81 -31.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 1.0 OUTLIER -85.48 -46.54 17.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.45 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 9.6 mt-10 -54.58 -38.61 66.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.2 70.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 68' ' ' GLU . 7.0 mt -83.57 -52.52 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 mt -45.92 -37.2 6.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.82 -40.79 73.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' ILE . 4.0 mttt -75.69 -41.95 52.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 42' ' ' LEU . 50.5 t -43.8 -51.46 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -46.74 -45.15 19.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.9 -24.77 71.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 64' ' ' TYR . 53.5 mt -91.16 -19.73 22.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -86.94 -33.52 19.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.422 ' CG ' ' N ' ' A' ' 45' ' ' ALA . 12.1 pt20 -59.29 -41.75 89.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -60.35 -37.89 82.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.463 ' CG2' ' HG ' ' A' ' 101' ' ' LEU . 11.6 t -61.2 -71.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.24 -26.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -119.52 41.29 3.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.03 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.586 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 35.4 t80 -99.24 171.87 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.586 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 1.9 mt-10 -159.5 138.88 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.45 -143.5 14.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.42 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -144.44 -176.24 4.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 109.273 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.594 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 4.7 mtmp? -72.19 -5.6 36.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -91.93 -52.9 4.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.42 ' OD2' ' N ' ' A' ' 52' ' ' LYS . 46.7 m-20 -39.35 129.25 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -55.43 -21.76 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -58.29 -56.39 22.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.594 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 75.9 t80 -51.29 -46.96 62.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.7 mp -56.12 -50.19 71.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.68 -58.9 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.518 ' CG2' ' CD1' ' A' ' 65' ' ' LEU . 76.4 mt -52.42 -58.96 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.367 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.444 ' C ' ' CD ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -37.79 -46.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.306 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.555 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -60.85 -53.19 60.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.555 ' N ' ' CG ' ' A' ' 63' ' ' GLU . 33.0 m-85 -52.16 -42.7 63.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.518 ' CD1' ' CG2' ' A' ' 61' ' ' ILE . 9.4 mp -60.75 -73.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.1 m -39.86 -41.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.43 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -40.51 -45.97 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.468 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 12.2 mm-40 -66.67 -41.44 88.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.476 ' CD2' ' HB ' ' A' ' 94' ' ' VAL . 64.0 mt -52.53 -52.94 52.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.68 -39.8 77.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.14 -26.17 64.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.473 ' O ' ' CG ' ' A' ' 87' ' ' ARG . 8.4 mt -76.26 -23.43 54.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -92.7 -19.76 21.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.1 t -65.7 -44.13 87.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.547 ' CG2' ' HD2' ' A' ' 87' ' ' ARG . 6.4 m -59.01 144.68 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -112.46 117.41 47.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.478 ' HA ' ' CG1' ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.01 -36.69 2.4 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.468 1.773 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 70.9 66.08 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 42.09 42.96 4.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.453 1.096 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -124.67 100.55 6.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 0.732 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.98 -39.46 41.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.4 -48.21 62.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.478 ' CG1' ' HA ' ' A' ' 77' ' ' PRO . 59.8 t -80.44 -51.79 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -48.54 -58.14 5.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.334 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.415 ' HA ' ' NH1' ' A' ' 88' ' ' ARG . 1.8 tt0 -43.65 -56.73 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.273 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.45 -50.92 50.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.547 ' HD2' ' CG2' ' A' ' 75' ' ' VAL . 6.7 ttp180 -49.32 -46.46 46.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.415 ' NH1' ' HA ' ' A' ' 85' ' ' GLN . 4.5 mtm-85 -69.62 -49.66 51.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -48.89 -42.76 37.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.95 -50.47 18.23 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.5 t -54.32 -35.59 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -67.98 -33.83 75.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -50.14 73.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.476 ' HB ' ' CD2' ' A' ' 69' ' ' LEU . 13.0 t -57.27 -49.0 81.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -46.65 -57.72 4.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.8 m -48.84 -48.52 41.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.36 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.6 mt -57.19 -42.65 80.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.471 HD21 ' CD2' ' A' ' 65' ' ' LEU . 2.3 mm? -59.99 -27.4 66.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -76.72 -32.47 57.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.452 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 7.1 mtpt -71.06 -56.47 6.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.574 HD11 ' CE1' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -38.17 -53.63 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 105' ' ' ALA . 0.6 OUTLIER -41.74 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -48.48 -35.23 12.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 0.5 OUTLIER -62.8 -31.1 72.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 102' ' ' GLU . . . -105.66 31.06 5.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.5 t -142.57 13.56 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.005 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -108.51 -148.46 13.37 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 78.41 2.9 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 76.0 p -59.47 168.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.73 141.28 50.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.484 ' OG ' ' CG2' ' A' ' 54' ' ' THR . 22.8 m -90.5 -68.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.25 174.6 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.957 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.24 140.63 8.7 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.43 153.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.781 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 t -173.32 149.68 1.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.061 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.73 105.62 2.12 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.71 148.27 0.8 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -177.17 3.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.799 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.56 156.09 25.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -156.15 116.27 2.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -170.4 0.78 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.496 1.787 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.97 -161.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.13 65.1 5.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.4 ' O ' ' N ' ' A' ' 17' ' ' SER . 18.1 Cg_endo -75.01 -162.97 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' SER . 0.2 OUTLIER 70.16 -68.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -38.7 125.19 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 132.66 66.7 0.08 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -123.04 103.87 8.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.24 -178.04 3.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -42.0 137.7 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.2 m -142.01 102.88 5.72 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.435 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 173.83 13.81 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.02 19.8 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -129.14 -170.76 2.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.515 ' O ' HD22 ' A' ' 30' ' ' LEU . 63.3 t-80 -68.23 140.23 92.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.621 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.04 -34.85 3.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.777 . . . . 0.0 110.988 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.477 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -51.84 -27.67 21.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.542 1.152 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.428 ' O ' HG23 ' A' ' 32' ' ' VAL . 41.0 t -86.13 -45.36 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.64 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -64.79 -28.6 69.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -49.84 -25.19 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.435 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -90.68 -45.39 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.435 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 7.2 mt-10 -53.17 -37.95 62.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.02 77.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.405 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 15.0 mt -79.95 -50.84 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.9 mt -46.52 -35.78 6.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.48 -45.27 13.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -64.5 -48.35 75.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.436 HG22 ' CG2' ' A' ' 94' ' ' VAL . 72.8 t -45.93 -37.56 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -55.53 -32.07 62.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.08 -25.96 72.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -90.65 -27.91 18.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 109.278 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.413 ' OE1' ' NZ ' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -66.32 -50.24 64.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -69.91 -31.74 69.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 110.326 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.48 -34.3 76.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.522 ' CG1' ' HG3' ' A' ' 100' ' ' LYS . 3.4 t -70.45 -67.11 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -43.72 -27.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 46' ' ' VAL . 44.5 t -120.83 45.18 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.023 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.6 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 23.0 t80 -102.33 171.69 7.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.6 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 2.6 mt-10 -156.5 138.78 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.35 -154.65 18.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -130.69 -156.21 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.751 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.59 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 8.5 mttp -88.17 12.47 13.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.484 ' CG2' ' OG ' ' A' ' 2' ' ' SER . 24.5 p -114.11 -48.13 2.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.386 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -41.54 131.08 3.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.298 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -38.91 19.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 10.6 ttpt -45.03 -59.0 2.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.59 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 59.4 t80 -47.97 -46.97 33.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.2 mp -59.63 -52.11 66.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.0 mtp -45.55 -65.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.424 ' CG2' HD21 ' A' ' 101' ' ' LEU . 38.2 mt -48.67 -53.9 5.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' GLU . 0.6 OUTLIER -41.5 -67.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -37.93 -63.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.494 ' CB ' HD12 ' A' ' 42' ' ' LEU . 36.5 m-85 -47.43 -62.93 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 42' ' ' LEU . 53.9 mt -37.25 -58.13 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.6 m -61.08 -48.83 79.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -41.81 -49.8 4.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -61.6 -39.99 93.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.467 ' CD2' ' HB ' ' A' ' 94' ' ' VAL . 43.6 mt -56.78 -51.11 70.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.52 -34.93 62.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.405 ' HB1' ' CD1' ' A' ' 35' ' ' ILE . . . -71.93 -24.33 61.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.3 mt -80.84 -28.06 36.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.23 -37.66 57.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -55.67 -19.1 9.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.148 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.0 t -80.89 123.0 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -112.75 106.62 55.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.403 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 18.5 Cg_endo -74.93 -35.64 3.09 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.516 1.798 . . . . 0.0 111.051 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 12.7 mt-10 79.12 -59.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.224 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 173.3 38.54 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -86.8 -18.75 30.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 74.26 -64.29 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -49.49 -44.52 46.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.4 t -74.56 -34.71 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -62.77 -39.96 95.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -61.64 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 90' ' ' GLY . . . -43.59 -44.8 6.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -60.56 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -54.32 -27.83 38.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -83.42 -33.71 25.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 86' ' ' ALA . . . -72.28 -50.47 16.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 19.0 m -61.94 -43.94 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 109.249 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -60.68 -39.89 90.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -51.97 -57.38 9.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.467 ' HB ' ' CD2' ' A' ' 69' ' ' LEU . 12.1 t -58.91 -56.11 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 94' ' ' VAL . 38.2 mt-30 -37.34 -60.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.4 m -50.98 -49.08 60.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 52.1 mt -59.54 -44.78 93.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.5 mt -56.41 -30.4 62.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.64 -26.84 25.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.311 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.522 ' HG3' ' CG1' ' A' ' 46' ' ' VAL . 3.8 ptmt -73.8 -36.02 64.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.438 ' HB2' ' CG2' ' A' ' 46' ' ' VAL . 47.6 tp -60.02 -54.9 40.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -38.65 -53.67 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.47 -42.87 83.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -60.81 -33.14 72.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -102.0 36.35 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.59 3.19 5.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 169.6 -120.82 0.89 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 158.2 42.41 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.2 p 176.15 119.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 0.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.62 165.93 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 179.955 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -173.49 141.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.988 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.1 142.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.999 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.22 156.24 7.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 110.957 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.47 125.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.36 171.28 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.09 133.09 1.44 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.82 94.01 0.24 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.535 0.785 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 178.81 6.78 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.803 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 179.78 161.06 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 179.84 72.63 0.16 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.52 35.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.47 138.08 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 177.65 120.64 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 155.41 42.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.525 1.803 . . . . 0.0 110.982 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.07 106.43 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.37 151.37 1.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.992 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.29 68.17 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.5 143.3 33.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.58 171.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -89.14 140.21 29.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 0.4 OUTLIER -174.89 143.48 0.79 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 18.2 Cg_endo -75.04 169.45 22.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.23 11.3 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.538 1.81 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.21 -136.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.481 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.7 t-80 -101.48 138.27 19.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.647 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -36.26 2.62 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.481 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -53.46 -38.8 58.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 86' ' ' ALA . 55.5 t -72.07 -58.21 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' GLU . 4.6 mt -42.12 -33.39 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -37.42 -43.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.442 HG13 ' NH1' ' A' ' 87' ' ' ARG . 0.9 OUTLIER -78.24 -45.31 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.7 mt-10 -54.81 -35.3 63.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -36.11 74.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.445 ' CD1' ' O ' ' A' ' 71' ' ' ALA . 9.6 mt -82.97 -50.09 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 39' ' ' VAL . 11.5 mt -41.04 -50.49 3.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -41.0 -40.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' ILE . 20.4 mttm -74.52 -43.3 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 42' ' ' LEU . 73.7 t -48.9 -49.64 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -41.25 -44.88 2.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.259 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.73 -40.56 98.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' VAL . 82.4 mt -70.76 -23.66 62.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.48 ' HG2' ' CG2' ' A' ' 97' ' ' ILE . 1.0 OUTLIER -73.49 -54.35 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.357 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -45.23 -41.65 8.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.71 85.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.535 ' CG1' ' HG3' ' A' ' 100' ' ' LYS . 14.2 t -65.73 -65.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -48.16 -24.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -118.92 36.56 4.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.946 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.57 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 61.0 t80 -98.61 172.34 7.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.57 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 4.1 mt-10 -167.01 128.15 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 139.56 -148.39 19.98 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.446 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 2.2 mmtm -121.53 -157.54 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.537 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 3.3 mttt -103.69 27.72 7.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ASP . 56.5 p -122.5 -44.02 2.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.388 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 52' ' ' LYS . 1.3 m-20 -40.49 134.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -32.52 31.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -58.5 -50.68 72.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.537 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 91.0 t80 -51.88 -47.65 64.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.42 -53.34 59.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -42.52 -56.59 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 46.9 mt -58.99 -41.35 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -53.46 -60.38 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 2.3 pt-20 -61.19 -43.76 98.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.46 ' N ' ' CG ' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -55.68 -40.57 72.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.3 mt -64.26 -48.27 76.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' LEU . 3.8 m -59.98 -45.91 91.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 66' ' ' THR . 25.2 mttp -40.07 -40.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -72.23 -44.81 62.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' THR . 52.6 mt -44.9 -54.76 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.2 mt -54.37 -41.36 69.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.445 ' O ' ' CD1' ' A' ' 35' ' ' ILE . . . -69.54 -19.66 63.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.46 ' CD1' HG21 ' A' ' 94' ' ' VAL . 22.9 mt -99.18 5.16 46.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.425 ' C ' ' N ' ' A' ' 75' ' ' VAL . 14.1 t0 -122.52 -38.87 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -13.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.042 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.717 ' HB ' ' CZ ' ' A' ' 87' ' ' ARG . 54.6 t -82.76 128.34 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -120.79 108.57 36.86 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.529 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 18.0 Cg_endo -75.02 -58.82 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.472 1.775 . . . . 0.0 110.945 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 77' ' ' PRO . 0.5 OUTLIER 33.98 89.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 134.45 -61.12 0.64 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -93.59 138.69 31.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.61 -52.46 5.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.05 -38.44 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.529 ' CG1' ' HB3' ' A' ' 77' ' ' PRO . 40.1 t -66.99 -57.79 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.496 ' HG2' ' CG ' ' A' ' 77' ' ' PRO . 4.3 mtt180 -45.25 -49.64 12.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.18 -63.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 89' ' ' ASP . . . -42.01 -51.82 4.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.717 ' CZ ' ' HB ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -40.3 -69.82 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -20.96 4.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -79.31 -72.73 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 86' ' ' ALA . . . -37.42 -62.86 0.88 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.458 ' CG2' ' N ' ' A' ' 92' ' ' ARG . 17.8 m -47.48 -54.27 3.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.458 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 0.5 OUTLIER -47.02 -55.65 7.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.452 ' CE ' HD11 ' A' ' 97' ' ' ILE . 23.5 tptt -43.94 -58.82 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 72' ' ' LEU . 95.0 t -55.6 -56.66 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 94' ' ' VAL . 68.9 mt-30 -37.47 -60.82 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.7 m -48.39 -47.8 37.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.373 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.48 ' CG2' ' HG2' ' A' ' 43' ' ' GLU . 46.6 mt -61.79 -35.36 67.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.416 ' CD1' HD11 ' A' ' 69' ' ' LEU . 6.0 mt -66.91 -31.74 72.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -86.4 -25.51 25.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.535 ' HG3' ' CG1' ' A' ' 46' ' ' VAL . 2.7 ptmt -74.82 -37.68 62.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.453 ' CD1' HG22 ' A' ' 46' ' ' VAL . 52.2 tp -59.01 -57.56 12.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.97 -52.8 8.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -57.76 -50.22 73.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 1.1 mmpt? -41.36 -63.99 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.49 ' O ' ' CB ' ' A' ' 106' ' ' SER . . . -38.48 -62.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 105' ' ' ALA . 0.3 OUTLIER 84.43 -146.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.002 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -156.06 -126.26 0.95 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 65.23 6.1 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 80.1 p -122.87 152.35 40.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 95.2 p -174.18 126.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.89 124.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 110.034 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -167.33 163.96 15.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.17 135.4 5.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.41 172.93 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 0.746 . . . . 0.0 109.975 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t 62.3 152.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.045 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.86 142.35 10.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.437 1.085 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.5 168.24 1.14 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 109.346 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 150.97 39.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.39 178.01 4.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.94 127.59 4.66 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.74 38.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.23 158.81 1.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.478 ' CB ' ' HD3' ' A' ' 15' ' ' PRO . . . 169.53 -55.31 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.478 ' HD3' ' CB ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -74.94 133.39 16.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.491 1.785 . . . . 0.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -168.88 117.87 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t 57.7 172.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.74 -81.18 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 57.29 169.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.06 10.36 5.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -132.37 157.77 43.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.34 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.5 m -156.76 93.3 2.38 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.24 18.69 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.434 1.755 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 130.51 13.38 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.482 ' HE2' ' CD2' ' A' ' 30' ' ' LEU . 7.7 pttt -128.19 -140.55 0.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.415 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 61.8 t-80 -87.44 138.62 31.91 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.627 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.4 Cg_endo -74.99 -36.06 2.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.77 . . . . 0.0 110.987 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.415 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -55.62 -32.75 58.62 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 32' ' ' VAL . 62.6 t -77.45 -56.83 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.773 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.482 ' CD2' ' HE2' ' A' ' 25' ' ' LYS . 4.9 mt -43.35 -35.92 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -48.78 -37.42 19.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.481 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.9 OUTLIER -76.73 -48.97 24.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.481 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 2.4 mm-40 -52.46 -47.35 66.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.51 -30.15 68.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.491 ' CG2' ' OE1' ' A' ' 68' ' ' GLU . 89.7 mt -80.77 -53.4 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.601 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 3.9 mm? -63.24 -16.45 60.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.4 tt0 -60.56 -35.13 75.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 39' ' ' VAL . 0.5 OUTLIER -73.84 -64.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.601 ' CG1' ' HA ' ' A' ' 36' ' ' LEU . 3.0 p -37.06 -49.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -41.55 -57.12 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.7 -34.44 56.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.528 HD22 ' CG ' ' A' ' 64' ' ' TYR . 0.7 OUTLIER -81.56 -19.15 42.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.302 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.474 ' HB2' ' CD1' ' A' ' 97' ' ' ILE . 25.7 tt0 -79.94 -30.8 39.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -70.22 -31.72 69.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -71.02 -28.19 64.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.539 ' CG1' ' HG3' ' A' ' 100' ' ' LYS . 3.4 t -63.14 -53.61 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -57.96 -19.51 30.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.35 31.13 5.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.557 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 1.4 t80 -104.17 167.33 9.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.557 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 8.5 mt-10 -157.14 137.85 13.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 146.36 -146.33 16.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.41 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -140.72 -169.53 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.754 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.605 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 3.7 mttp -82.68 6.87 16.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.8 -35.97 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.54 126.31 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.4 tptt -54.48 -25.4 25.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -64.48 -47.63 78.26 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.605 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 62.1 t80 -55.52 -47.81 75.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.5 mp -51.83 -50.84 60.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.546 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 9.9 mtp -47.09 -51.4 17.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.7 mt -67.13 -49.37 73.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -44.2 -65.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.268 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 5.3 pt-20 -55.85 -45.51 78.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.546 ' CD2' ' O ' ' A' ' 60' ' ' MET . 0.4 OUTLIER -51.82 -36.71 48.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 15.8 mt -70.45 -73.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 69' ' ' LEU . 1.5 m -38.28 -35.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.44 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER -39.06 -46.53 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.491 ' OE1' ' CG2' ' A' ' 35' ' ' ILE . 15.3 mm-40 -66.88 -41.52 87.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -46.15 -54.09 9.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.404 ' N ' ' CD2' ' A' ' 70' ' ' LEU . 1.8 mm? -58.68 -38.47 78.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.475 ' HB3' ' CD1' ' A' ' 35' ' ' ILE . . . -70.02 -16.5 63.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.497 ' CD2' HD23 ' A' ' 36' ' ' LEU . 12.1 mt -88.24 -22.83 23.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -86.78 -40.67 14.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.57 -28.89 49.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.055 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.4 t -75.66 114.16 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -104.15 112.69 65.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 79' ' ' GLY . 18.4 Cg_endo -74.95 -22.99 14.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.534 1.807 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 68.58 -60.47 0.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 77' ' ' PRO . . . -171.27 35.43 0.16 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.464 ' CB ' HG21 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -111.62 122.07 46.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 82' ' ' ASP . . . -67.79 -56.13 10.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 81' ' ' ALA . 13.9 m-20 -38.16 -47.46 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.464 HG21 ' CB ' ' A' ' 80' ' ' ARG . 8.4 t -71.52 -60.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -41.78 -34.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.451 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -64.43 -71.75 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.468 ' CB ' HG22 ' A' ' 32' ' ' VAL . . . -41.91 -55.71 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -50.7 26.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -58.51 -47.51 83.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -61.68 -51.1 69.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.32 -50.28 56.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.447 ' N ' HD12 ' A' ' 72' ' ' LEU . 12.7 t -55.66 -39.64 56.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -73.16 -29.79 63.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.79 -65.95 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.484 ' CG1' HD11 ' A' ' 69' ' ' LEU . 11.9 t -47.9 -61.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 94' ' ' VAL . 7.4 mm-40 -38.41 -59.32 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.8 m -44.81 -55.0 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 43' ' ' GLU . 45.2 mt -50.92 -52.61 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 65' ' ' LEU . 2.4 mm? -47.87 -39.78 19.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.62 -28.66 61.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.539 ' HG3' ' CG1' ' A' ' 46' ' ' VAL . 1.2 ptmt -78.88 -38.98 36.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.579 HD11 ' CE1' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -59.05 -61.93 2.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 105' ' ' ALA . 50.7 mt-10 -37.52 -70.16 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 102' ' ' GLU . 52.6 mm-40 -38.0 -52.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 3.7 mmpt? -48.89 -50.04 36.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 102' ' ' GLU . . . -64.79 -38.06 89.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.8 t -75.07 -0.57 19.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 149.87 127.11 1.48 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.573 1.171 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 175.49 11.16 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.5 m -147.15 119.39 8.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.25 119.3 2.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -152.63 114.18 4.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.791 . . . . 0.0 109.985 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 t 176.69 159.65 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . -162.47 32.05 0.31 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 0.3 OUTLIER 80.73 165.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 110.019 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.81 108.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 73.75 170.69 21.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.502 ' N ' ' CD ' ' A' ' 9' ' ' PRO . . . 163.25 -52.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.542 0.789 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 8' ' ' ALA . 18.4 Cg_endo -75.0 57.97 4.74 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 175.18 67.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -141.68 151.41 60.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -163.44 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.781 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -155.59 123.24 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 175.94 91.73 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.65 5.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.477 1.777 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -88.02 173.95 8.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 t -179.32 150.31 0.43 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.66 -84.38 0.05 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 62.33 106.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -174.23 -177.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -41.13 152.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.7 m -127.87 91.82 44.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.1 15.1 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.427 1.751 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.19 7.69 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.0 111.044 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' HE2' ' CD2' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -139.46 -128.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.288 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.48 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 62.9 t-80 -102.71 138.31 19.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.629 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -35.87 2.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.48 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -54.17 -33.99 52.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.2 t -77.27 -55.51 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.48 ' CD2' ' HE2' ' A' ' 25' ' ' LYS . 5.1 mt -46.5 -35.15 5.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -45.21 -33.0 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.469 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.9 OUTLIER -83.09 -47.86 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.469 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 4.7 mt-10 -48.63 -39.8 25.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.82 -31.94 71.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.47 ' O ' HG12 ' A' ' 39' ' ' VAL . 57.5 mt -79.77 -59.36 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.609 ' O ' HG23 ' A' ' 39' ' ' VAL . 2.7 mm? -47.97 -28.09 2.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -12.66 44.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.3 mtpp -112.38 -8.35 13.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 36' ' ' LEU . 1.3 m -89.81 -44.28 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.42 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 7.5 mm-40 -46.83 -38.92 11.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.69 -27.91 73.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.152 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 39' ' ' VAL . 70.2 mt -85.6 -21.57 28.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -77.95 -40.0 40.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.46 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 12.8 pt20 -58.25 -41.97 85.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -62.41 -38.8 91.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 49' ' ' PHE . 11.9 t -59.74 -71.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' VAL . 1.1 t0 -40.57 -29.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.452 ' N ' ' C ' ' A' ' 46' ' ' VAL . 82.2 p -123.66 47.74 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.003 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 46' ' ' VAL . 3.1 t80 -106.48 153.5 22.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.47 131.27 27.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.94 -135.83 5.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' C ' ' CB ' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -152.64 -171.88 4.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 0.779 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.603 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 4.1 mtmp? -86.91 -7.2 58.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.6 p -103.95 -18.01 14.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 110.386 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -66.02 154.21 40.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -47.97 39.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -44.3 -41.64 6.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.603 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 74.9 t80 -63.47 -44.25 94.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.8 mt -59.33 -34.0 71.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.455 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.2 mtp -61.29 -53.0 62.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.1 mt -65.75 -39.97 86.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -57.87 -53.77 54.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 3.9 pt-20 -64.71 -43.79 92.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.461 ' N ' ' CG ' ' A' ' 63' ' ' GLU . 1.8 m-85 -59.12 -30.22 67.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.443 HD23 ' CG2' ' A' ' 97' ' ' ILE . 20.5 mt -73.08 -65.26 0.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.7 m -44.13 -46.2 8.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.415 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -41.3 -42.01 2.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.433 ' CB ' HG11 ' A' ' 39' ' ' VAL . 37.9 mm-40 -70.54 -43.26 69.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.435 ' CD2' HG12 ' A' ' 94' ' ' VAL . 24.6 mt -48.38 -57.71 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -53.14 -34.5 57.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.44 -24.77 63.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.422 HD21 ' CD2' ' A' ' 36' ' ' LEU . 22.6 mt -80.2 -51.63 8.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -12.94 37.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.6 t -75.0 -2.03 25.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.3 t -96.93 130.71 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -109.04 100.98 42.89 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.425 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 18.2 Cg_endo -74.97 -21.47 15.9 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.481 1.78 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.61 -62.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -174.89 33.76 0.1 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.445 1.09 . . . . 0.0 111.028 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -102.62 118.82 37.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.773 . . . . 0.0 110.269 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.61 -58.83 6.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.1 -56.03 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.425 ' CG1' ' HB3' ' A' ' 77' ' ' PRO . 21.7 t -62.14 -53.73 43.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.9 mtt-85 -42.74 -51.17 5.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.349 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -58.53 -56.56 20.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -42.99 -56.19 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -52.61 51.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -58.51 -46.25 87.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.56 -46.85 86.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.434 ' CA ' HD23 ' A' ' 36' ' ' LEU . . . -53.81 -64.11 4.53 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 92' ' ' ARG . 16.8 m -53.67 -45.8 60.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.411 ' N ' HG22 ' A' ' 91' ' ' VAL . 1.2 ttt85 -57.74 -56.58 20.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -51.18 -32.06 22.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' ILE . 81.0 t -78.9 -54.95 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -40.36 -54.87 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.492 ' O ' ' CG ' ' A' ' 100' ' ' LYS . 2.0 m -44.24 -38.76 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.443 ' CG2' HD23 ' A' ' 65' ' ' LEU . 34.6 mt -61.05 -51.57 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.434 HD11 ' CD1' ' A' ' 65' ' ' LEU . 4.0 mm? -53.82 -47.66 70.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -34.0 75.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.237 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 96' ' ' THR . 7.8 mmmt -67.71 -58.56 4.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 105' ' ' ALA . 0.1 OUTLIER -40.57 -51.19 2.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 105' ' ' ALA . 2.5 mt-10 -41.39 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -48.23 -36.59 14.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.459 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -63.6 -31.67 72.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . -107.53 39.74 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.5 m -140.59 11.17 2.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.957 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 51.58 -177.56 0.07 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 139.96 24.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.8 t -153.89 -67.16 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.75 -61.47 1.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.027 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -162.43 139.34 7.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 110.032 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.35 130.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.49 -160.63 19.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 t 57.78 99.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 t -151.73 81.67 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.964 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.21 106.56 0.29 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -168.55 92.05 0.61 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -58.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.53 158.0 2.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.157 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -138.84 82.52 20.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 1.42 7.75 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.537 1.809 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 65.68 176.33 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 40.71 89.61 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 61.68 5.7 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 111.052 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mttp 60.88 157.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 t 175.62 -72.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.41 ' C ' ' CG ' ' A' ' 19' ' ' GLU . . . -65.51 83.9 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' CG ' ' C ' ' A' ' 18' ' ' GLY . 2.4 pt-20 39.14 54.83 2.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.434 ' O ' ' CB ' ' A' ' 21' ' ' GLU . . . -103.44 9.53 37.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 3.3 tt0 82.16 150.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 61.09 154.18 0.11 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 169.08 23.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -171.52 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.7 158.5 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.497 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 66.2 t-80 -82.66 139.92 44.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.63 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.449 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.4 Cg_endo -74.95 -36.55 2.53 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.497 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -60.46 -29.54 69.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 32' ' ' VAL . 91.5 t -82.66 -58.23 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 mt -43.35 -35.72 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.25 -37.28 22.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 109.35 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -76.1 -43.67 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.35 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 37' ' ' GLU . 2.2 mt-10 -57.04 -41.28 78.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 37' ' ' GLU . . . -65.48 -40.39 93.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.463 ' CG2' ' HA ' ' A' ' 68' ' ' GLU . 24.4 mt -75.28 -25.11 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.568 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 31.1 mt -91.33 -10.99 39.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -68.43 -34.13 75.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -73.6 -58.22 3.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.568 ' CG1' ' HA ' ' A' ' 36' ' ' LEU . 2.8 p -41.83 -50.79 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.655 ' NE2' ' HZ1' ' A' ' 93' ' ' LYS . 4.9 mm-40 -38.95 -48.51 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.94 -40.73 99.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.44 1.087 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -75.67 -21.13 57.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.278 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 39' ' ' VAL . 33.8 tt0 -74.24 -46.82 39.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -57.14 -29.94 64.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -69.85 -35.99 75.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.461 HG22 ' CD1' ' A' ' 101' ' ' LEU . 2.8 t -62.42 -67.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.434 ' N ' HG12 ' A' ' 46' ' ' VAL . 20.8 t0 -40.03 -30.25 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.44 ' N ' ' C ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -127.47 47.08 2.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.997 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.644 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 2.5 t80 -99.9 172.46 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.644 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 11.1 pt-20 -178.75 132.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.456 ' C ' ' HG2' ' A' ' 52' ' ' LYS . . . 152.78 -19.57 0.77 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.456 ' HG2' ' C ' ' A' ' 51' ' ' GLY . 1.6 mmmt 85.39 -173.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.569 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 84.7 mttt -83.32 6.53 19.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.78 -26.82 12.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.422 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.402 ' HB2' ' HA3' ' A' ' 51' ' ' GLY . 22.4 t0 -65.28 136.17 56.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -17.7 10.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -56.79 9.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 89.2 t80 -51.65 -46.6 63.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.9 mp -56.36 -50.6 71.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.43 -61.18 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.447 HG23 ' CD2' ' A' ' 101' ' ' LEU . 54.9 mt -45.25 -51.9 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -42.26 -72.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.342 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 4.9 pt-20 -54.22 -45.61 72.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.481 ' N ' ' CG ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER -50.32 -33.55 20.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.481 HD11 ' CD2' ' A' ' 98' ' ' LEU . 9.9 mt -71.49 -47.66 54.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 69' ' ' LEU . 1.5 m -61.87 -38.49 88.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -35.21 -43.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.517 ' CG ' ' HB ' ' A' ' 39' ' ' VAL . 5.2 mm-40 -75.63 -46.16 33.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.498 ' CD2' ' HB ' ' A' ' 94' ' ' VAL . 60.6 mt -56.41 -48.67 76.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.559 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -61.3 -44.57 96.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.94 -14.58 61.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 68' ' ' GLU . 14.3 mt -84.44 -19.03 34.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -78.78 -22.39 46.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.51 -18.0 58.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.6 t -75.08 113.41 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -108.5 112.82 60.63 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -29.31 8.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.809 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 68.33 12.52 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.48 -29.84 4.4 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -45.41 118.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.51 -54.22 15.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.89 -33.61 7.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.9 t -85.95 -52.3 12.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -49.36 -38.13 27.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' A' ' 87' ' ' ARG . 1.3 tt0 -73.31 -61.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 85' ' ' GLN . . . -39.91 -31.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 85' ' ' GLN . 0.2 OUTLIER -73.5 -60.72 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -60.16 -33.84 72.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.19 -41.32 61.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.465 ' CA ' HD11 ' A' ' 36' ' ' LEU . . . -68.77 -61.21 4.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.446 1.092 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.48 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 27.3 m -47.48 -38.81 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 93' ' ' LYS . 1.0 OUTLIER -57.66 -58.2 9.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.655 ' HZ1' ' NE2' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -39.71 -51.19 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.234 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.498 ' HB ' ' CD2' ' A' ' 69' ' ' LEU . 3.6 t -64.31 -54.25 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 94' ' ' VAL . 48.6 mt-30 -36.97 -62.48 0.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 100' ' ' LYS . 2.8 m -53.98 -57.22 11.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 43.1 mt -48.81 -41.52 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.481 ' CD2' HD11 ' A' ' 65' ' ' LEU . 1.9 mt -59.79 -50.44 73.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -69.03 -23.57 64.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.432 ' HD3' ' CG1' ' A' ' 46' ' ' VAL . 0.8 OUTLIER -72.88 -44.24 61.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.461 ' CD1' HG22 ' A' ' 46' ' ' VAL . 54.9 tp -44.92 -56.39 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 105' ' ' ALA . 31.5 mt-10 -38.13 -66.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -44.74 -36.95 3.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 101' ' ' LEU . 2.8 mmpt? -67.81 -37.87 82.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 102' ' ' GLU . . . -93.46 29.73 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 m -134.28 8.62 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -168.66 159.76 33.01 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -50.21 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.4 t 63.09 164.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.5 m -63.04 155.73 26.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.008 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.54 128.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -134.52 143.72 47.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.12 154.76 6.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.37 -53.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 0.799 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.18 171.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.986 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . -88.59 -119.56 1.62 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 7' ' ' GLY . . . 168.73 89.63 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 109.255 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 158.21 42.08 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.88 139.85 30.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.51 97.53 0.4 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 169.33 22.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 179.5 -173.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.238 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -176.76 165.37 1.54 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 164.79 32.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.1 -27.59 11.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.96 -177.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.88 74.75 1.01 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.429 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 9.3 pt-20 -110.91 139.22 46.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.777 . . . . 0.0 110.262 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 19' ' ' GLU . . . 168.06 -163.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -38.29 136.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.13 118.76 6.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.81 15.65 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.773 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 122.15 7.0 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.507 1.793 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.33 -169.21 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.503 ' O ' HD22 ' A' ' 30' ' ' LEU . 59.0 t-80 -72.63 141.43 82.54 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.571 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.501 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.07 -34.97 3.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.81 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.458 ' H ' ' CE1' ' A' ' 26' ' ' HIS . . . -51.18 -25.57 11.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 32' ' ' VAL . 12.4 t -88.73 -47.19 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.753 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.614 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -61.73 -29.77 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.79 -33.8 37.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 33' ' ' GLU . 0.9 OUTLIER -82.57 -39.68 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 32' ' ' VAL . 2.2 mt-10 -55.13 -45.63 75.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.28 93.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.482 HG22 ' CB ' ' A' ' 71' ' ' ALA . 67.6 mt -71.41 -41.7 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.591 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 77.0 mt -73.64 -14.0 61.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -34.27 77.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -74.2 -62.36 1.54 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.591 ' CG1' ' HA ' ' A' ' 36' ' ' LEU . 2.8 p -38.23 -47.34 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -41.85 -53.44 3.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.274 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.98 -29.77 75.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 64' ' ' TYR . 3.1 mt -80.88 -20.2 42.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.496 ' OE2' ' CE ' ' A' ' 100' ' ' LYS . 4.6 tm-20 -69.8 -51.31 34.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -52.29 -33.42 42.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.38 -36.79 85.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 100' ' ' LYS . 3.6 t -67.39 -66.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -43.17 -27.87 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -123.99 45.02 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.617 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 14.5 t80 -98.9 171.45 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.617 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 19.4 mt-10 -154.75 136.09 14.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 135.61 -152.03 20.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.411 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 5.9 mmmt -132.02 -155.38 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.791 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.596 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 4.7 mtmp? -95.1 16.36 16.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' ASP . 58.9 p -122.06 -42.05 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' THR . 49.5 t0 -39.36 136.36 0.92 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -55.87 -27.94 54.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -62.69 -52.88 61.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.596 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 67.6 t80 -47.36 -45.78 25.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.433 ' N ' HD13 ' A' ' 59' ' ' LEU . 6.2 mp -66.22 -54.44 25.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.605 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 2.3 ttp -43.2 -40.5 3.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.438 ' O ' ' HB2' ' A' ' 64' ' ' TYR . 33.1 mt -77.75 -53.13 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.439 ' C ' ' CD ' ' A' ' 62' ' ' GLU . 8.4 tm-20 -36.86 -46.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 3.6 pt-20 -70.3 -46.54 64.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 60' ' ' MET . 13.7 m-30 -50.81 -44.92 59.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.564 ' CD1' ' N ' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -65.97 -77.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.473 HG23 ' CD2' ' A' ' 70' ' ' LEU . 1.2 m -35.74 -40.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.399 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -35.23 -50.69 0.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.481 ' CG ' ' HB ' ' A' ' 39' ' ' VAL . 7.0 mm-40 -69.43 -45.97 67.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -42.45 -48.26 5.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.473 ' CD2' HG23 ' A' ' 66' ' ' THR . 3.8 mm? -67.49 -50.48 58.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.482 ' CB ' HG22 ' A' ' 35' ' ' ILE . . . -57.42 -18.9 20.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.483 HD12 ' CD2' ' A' ' 36' ' ' LEU . 56.3 mt -81.79 -25.47 35.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -87.54 -31.08 20.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.9 t -60.09 -17.92 43.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.429 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 77.9 t -80.82 128.13 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -109.01 103.38 52.04 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.03 -24.95 12.28 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 77.25 -64.12 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -171.69 32.17 0.13 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.412 ' CB ' HG22 ' A' ' 83' ' ' VAL . 2.4 mmp_? -99.53 123.63 43.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 0.801 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.92 -59.75 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -41.9 -36.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.428 ' CG1' ' HB3' ' A' ' 77' ' ' PRO . 39.8 t -82.19 -58.07 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -40.14 -37.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -67.3 -63.89 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.14 -56.21 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.429 ' NE ' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -49.09 -63.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.33 -57.27 4.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.06 -48.26 67.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.18 -51.65 54.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.406 ' N ' HD11 ' A' ' 72' ' ' LEU . 25.2 t -58.53 -47.3 88.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -63.78 -34.3 77.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.28 -66.96 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 97' ' ' ILE . 63.6 t -46.75 -55.06 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.355 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -38.9 -54.51 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.4 m -57.33 -42.13 81.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.48 ' CG2' ' HG2' ' A' ' 43' ' ' GLU . 28.3 mt -66.25 -38.8 82.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.401 ' CD1' ' OG1' ' A' ' 66' ' ' THR . 8.5 mt -68.24 -36.96 80.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.82 -26.15 54.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.496 ' CE ' ' OE2' ' A' ' 43' ' ' GLU . 22.5 ttpt -70.86 -57.0 5.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.521 HD22 ' CD1' ' A' ' 58' ' ' TYR . 27.7 tp -41.35 -49.13 3.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -41.86 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 107' ' ' GLY . 8.1 mm100 -52.93 -33.92 52.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -61.6 -30.16 70.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.411 ' CB ' ' HA ' ' A' ' 52' ' ' LYS . . . -92.26 -42.26 9.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.7 t -79.46 3.97 16.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 103' ' ' GLN . . . -39.44 160.68 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -64.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.789 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.4 t -140.22 91.5 2.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.974 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.28 160.0 15.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -148.78 120.7 8.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 109.965 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.22 163.78 38.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.36 153.12 26.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.44 -61.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.935 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.19 -63.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.054 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.73 -169.59 35.66 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.0 158.23 5.2 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 156.63 42.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.452 1.764 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.33 171.92 13.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -96.67 140.08 21.96 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 177.82 8.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.79 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 14' ' ' ALA . . . -109.16 -144.34 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.47 ' N ' ' CD ' ' A' ' 15' ' ' PRO . . . 168.59 -54.57 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 14' ' ' ALA . 18.1 Cg_endo -75.03 143.3 28.79 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.454 1.765 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -131.41 167.98 18.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.64 164.42 6.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -109.31 -68.53 0.61 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 53.12 89.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.279 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.29 10.34 7.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -112.74 153.19 28.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.9 m -145.33 92.01 5.7 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.477 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 18.2 Cg_endo -75.02 162.22 37.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.06 13.87 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.477 ' CE ' ' O ' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -160.61 -132.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.499 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.0 t-80 -82.94 139.09 42.85 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.62 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.3 Cg_endo -75.01 -35.71 2.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.452 1.764 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.499 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -58.08 -34.56 73.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.6 t -76.88 -55.89 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 0.731 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.2 mt -44.35 -35.43 2.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -41.08 -33.6 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.482 HG21 ' CB ' ' A' ' 86' ' ' ALA . 1.0 OUTLIER -88.13 -44.17 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.416 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 1.7 mt-10 -51.51 -35.87 42.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.75 -32.94 74.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.496 ' CG2' ' OE1' ' A' ' 68' ' ' GLU . 8.2 mt -82.5 -57.08 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.421 ' CD1' ' HG2' ' A' ' 93' ' ' LYS . 4.0 mm? -44.76 -36.9 3.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.46 -46.01 73.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -71.73 -45.96 60.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.485 ' CG1' ' CD1' ' A' ' 97' ' ' ILE . 72.0 t -44.36 -60.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -38.79 -45.98 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.29 -43.95 89.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.47 HD11 ' CB ' ' A' ' 64' ' ' TYR . 30.9 mt -64.6 -53.32 49.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 0.74 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.502 ' HA ' HG12 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -55.71 -30.26 60.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -67.15 -28.94 68.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.12 -34.2 20.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.525 ' O ' ' CE ' ' A' ' 104' ' ' LYS . 0.9 OUTLIER -72.99 -49.0 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.486 ' N ' ' CG2' ' A' ' 46' ' ' VAL . 6.5 t70 -50.38 -24.67 3.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.5 t -133.83 41.51 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.674 ' CD1' ' N ' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -94.68 168.62 10.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.956 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.674 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 2.1 mt-10 -149.17 133.9 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.253 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 138.77 -157.92 24.9 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.143 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.5 -154.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.576 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 43.9 mttt -91.82 16.53 10.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.0 p -114.02 -42.96 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.353 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.45 121.76 6.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -44.55 36.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.65 -61.81 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.602 ' CE1' HD11 ' A' ' 101' ' ' LEU . 39.4 t80 -44.7 -49.86 10.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.4 mp -52.91 -51.0 62.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.564 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.4 ttp -46.2 -45.94 17.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.465 ' CG2' ' CD1' ' A' ' 65' ' ' LEU . 38.5 mt -62.69 -66.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 61' ' ' ILE . 5.0 tm-20 -34.24 -62.95 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.55 -61.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.564 ' CD2' ' O ' ' A' ' 60' ' ' MET . 19.3 m-85 -51.62 -49.49 62.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.465 ' CD1' ' CG2' ' A' ' 61' ' ' ILE . 10.3 mp -47.64 -73.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' LEU . 3.1 m -50.73 -47.14 59.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.367 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -43.63 -38.74 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.496 ' OE1' ' CG2' ' A' ' 35' ' ' ILE . 67.4 mm-40 -72.72 -39.44 66.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -53.13 -52.28 59.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -57.83 -28.9 64.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.58 -16.28 54.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.2 mt -83.69 -27.81 28.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -97.38 -17.09 19.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.2 t -64.31 -37.04 86.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.027 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.564 ' CG2' ' HD2' ' A' ' 87' ' ' ARG . 11.7 m -62.87 146.09 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -110.96 117.8 49.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.476 ' HA ' ' CG1' ' A' ' 83' ' ' VAL . 18.3 Cg_endo -74.97 -25.83 11.54 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 65.84 10.11 6.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.239 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 109.79 -26.65 13.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -53.28 110.91 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.769 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 82' ' ' ASP . . . -54.4 -54.1 45.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 81' ' ' ALA . 3.8 m-20 -40.16 -50.32 2.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 77' ' ' PRO . 61.6 t -61.92 -60.48 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.468 ' HG2' ' CG ' ' A' ' 77' ' ' PRO . 6.0 mtm105 -46.74 -46.54 20.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.361 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -43.52 -63.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.482 ' CB ' HG21 ' A' ' 32' ' ' VAL . . . -59.57 -50.5 73.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.564 ' HD2' ' CG2' ' A' ' 75' ' ' VAL . 0.5 OUTLIER -53.85 -21.1 6.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -96.8 -58.04 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.32 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -53.53 -47.96 69.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.66 -45.25 78.79 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.5 t -57.1 -42.88 80.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 0.771 . . . . 0.0 109.329 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -66.73 -33.27 75.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.421 ' HG2' ' CD1' ' A' ' 36' ' ' LEU . 1.4 tptt -65.92 -51.45 58.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.413 HG21 ' CG1' ' A' ' 39' ' ' VAL . 86.9 t -61.61 -53.45 48.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -42.78 -59.01 2.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.127 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.4 m -41.42 -47.68 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 100' ' ' LYS . 68.9 mt -58.07 -52.41 58.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.4 mt -48.25 -27.17 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -87.48 -27.79 22.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 97' ' ' ILE . 10.0 ptmt -78.05 -47.16 19.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.602 HD11 ' CE1' ' A' ' 58' ' ' TYR . 0.3 OUTLIER -64.13 -62.04 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 101' ' ' LEU . 21.3 mt-10 -37.29 -41.11 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -71.44 -45.2 63.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.525 ' CE ' ' O ' ' A' ' 46' ' ' VAL . 5.4 mmmt -41.23 -48.41 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.2 -50.89 64.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.89 110.65 3.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 98.98 132.81 7.83 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.564 1.165 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 118.62 5.31 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.1 t -129.74 153.16 48.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -55.49 6.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.972 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.546 1.153 . . . . 0.0 111.05 -179.953 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 p -164.68 126.12 2.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -176.14 153.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.46 -177.19 29.99 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.33 164.5 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.789 . . . . 0.0 109.993 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.3 147.94 26.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.74 -164.66 10.1 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.82 104.9 26.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 92' ' ' ARG . 18.2 Cg_endo -74.97 172.24 16.74 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.542 1.812 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.93 171.95 3.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 50.85 92.65 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 137.46 21.62 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 14' ' ' ALA . . . 179.07 135.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 13' ' ' ALA . . . 163.24 76.23 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.58 4.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.61 88.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.0 p -134.75 129.84 35.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.26 -77.09 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.83 88.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.763 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.39 145.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -41.98 163.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.1 m -126.35 90.87 49.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.383 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 172.86 15.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 123.83 8.21 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HE2' ' CD2' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -142.66 -126.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.49 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 55.3 t-80 -100.97 136.75 19.69 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.565 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -38.75 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.777 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.49 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -56.37 -25.42 48.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 32' ' ' VAL . 42.8 t -85.94 -54.65 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 0.736 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.473 ' CD2' ' HE2' ' A' ' 25' ' ' LYS . 4.2 mt -44.11 -35.48 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -50.83 -36.1 35.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.088 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.46 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -86.29 -46.97 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.46 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 1.7 mt-10 -55.08 -34.26 63.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.79 78.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.7 mt -81.05 -46.41 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 mt -48.18 -49.81 31.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.42 -36.84 10.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -75.31 -44.74 43.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.506 HG12 ' CD1' ' A' ' 97' ' ' ILE . 76.8 t -44.63 -61.59 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 39' ' ' VAL . 8.8 mm100 -37.53 -49.52 1.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.91 -45.6 55.84 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.428 1.08 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.523 ' CD1' ' OE1' ' A' ' 68' ' ' GLU . 16.5 mt -62.87 -55.86 22.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.51 ' O ' HG21 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -55.06 -32.96 62.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.443 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 21.1 mt-30 -63.41 -27.98 69.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -83.37 -40.57 19.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.53 ' CG2' ' N ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -65.78 -51.54 60.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.53 ' N ' ' CG2' ' A' ' 46' ' ' VAL . 2.9 t70 -56.97 -22.95 42.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.2 t -125.24 32.67 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.964 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.582 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 5.8 t80 -98.72 168.54 10.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.582 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 1.3 tt0 -150.63 127.2 10.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.63 -154.9 25.84 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.48 -164.46 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.737 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.604 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 14.6 mttt -81.54 3.69 24.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.94 -26.92 10.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 58' ' ' TYR . 52.4 t0 -51.79 128.07 22.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.06 -33.45 65.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -59.64 -54.25 48.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.604 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 40.9 t80 -46.01 -50.34 15.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 mp -53.6 -52.56 59.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.553 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 7.0 mtp -48.19 -48.43 34.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.458 ' CG2' HD22 ' A' ' 101' ' ' LEU . 39.9 mt -66.13 -45.41 90.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.4 1.063 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -54.05 -55.58 26.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -60.74 -37.14 80.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 60' ' ' MET . 1.4 m-85 -61.9 -59.87 4.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.465 HD11 ' CD2' ' A' ' 98' ' ' LEU . 5.6 mt -38.43 -40.75 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 69' ' ' LEU . 50.5 m -64.19 -50.63 67.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.428 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 4.9 mttt -38.43 -38.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.523 ' OE1' ' CD1' ' A' ' 42' ' ' LEU . 22.2 mp0 -83.11 -39.8 20.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -63.4 -45.67 89.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.626 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -73.2 -33.62 65.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 67' ' ' LYS . . . -71.53 -6.77 43.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.0 mt -95.54 -20.7 18.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -81.49 -26.62 35.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 t -67.51 -13.64 62.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.6 t -80.51 130.25 36.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -119.81 113.03 34.75 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.413 ' O ' ' CD ' ' A' ' 80' ' ' ARG . 18.3 Cg_endo -74.98 -35.85 2.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 71.35 8.87 6.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 108.85 59.28 0.53 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.413 ' CD ' ' O ' ' A' ' 77' ' ' PRO . 2.0 mtt180 -140.41 104.17 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 85' ' ' GLN . . . -45.44 -55.7 5.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.67 -61.78 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 42.4 t -60.01 -56.82 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 87' ' ' ARG . 28.4 mtt-85 -43.72 -69.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' ARG . 0.9 OUTLIER -38.62 -58.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.56 -41.99 74.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -58.56 -33.1 69.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.66 -52.99 5.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -42.3 -57.77 2.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.82 -57.27 18.7 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.426 ' O ' ' CG ' ' A' ' 95' ' ' GLN . 35.3 t -51.39 -41.13 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -61.49 -31.81 71.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.88 -55.8 6.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.469 ' CG1' HD13 ' A' ' 69' ' ' LEU . 10.8 t -55.14 -43.84 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' A' ' 91' ' ' VAL . 4.9 mm-40 -52.93 -56.79 13.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.6 m -52.44 -48.69 65.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.506 ' CD1' HG12 ' A' ' 39' ' ' VAL . 71.8 mt -55.0 -51.5 53.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.465 ' CD2' HD11 ' A' ' 65' ' ' LEU . 1.2 mt -47.15 -40.0 14.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.34 -25.87 58.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 97' ' ' ILE . 28.1 ttpt -70.57 -66.75 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.458 HD22 ' CG2' ' A' ' 61' ' ' ILE . 14.2 tp -37.37 -47.45 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.9 -66.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -56.14 -32.8 64.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.448 ' HD3' ' O ' ' A' ' 46' ' ' VAL . 1.5 mmpt? -61.53 -34.97 76.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -94.67 44.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 m -141.81 12.44 2.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -175.35 170.42 43.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -50.33 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.0 p -175.74 138.8 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.0 t -131.23 95.5 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.971 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.48 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.6 t-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.3 Cg_endo -75.03 -36.63 2.42 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.463 1.77 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.48 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -60.1 -26.72 63.9 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 32' ' ' VAL . 93.6 t -86.81 -58.47 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -43.35 -35.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.453 ' O ' HD12 ' A' ' 35' ' ' ILE . 6.9 mttt -53.85 -42.25 68.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.836 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -79.33 -46.31 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 68.6 mt-10 -54.6 -32.3 58.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.84 -43.73 87.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 31' ' ' LYS . 6.8 mt -69.93 -56.21 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.788 HD22 ' HD3' ' A' ' 93' ' ' LYS . 7.8 mt -43.09 -50.6 6.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.74 -39.39 3.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 35' ' ' ILE . 4.6 mttp -74.31 -48.04 30.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.534 HG11 HG22 ' A' ' 94' ' ' VAL . 95.3 t -42.02 -53.06 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -39.22 -41.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.87 -45.24 93.12 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.116 . . . . 0.0 111.053 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' ' 64' ' ' TYR . 82.1 mt -65.06 -26.85 68.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.74 -51.55 18.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -47.11 -35.34 6.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.272 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -66.62 -46.47 75.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.835 HG22 ' HG ' ' A' ' 101' ' ' LEU . 24.2 t -58.9 -61.96 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -46.66 -27.16 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.67 40.51 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.583 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 45.3 t80 -104.29 171.63 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.583 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 20.7 tt0 -170.14 132.11 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 153.9 -128.19 2.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.908 ' CA ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -149.12 -171.8 3.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.614 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 8.5 mttt -86.69 -11.6 50.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.1 p -97.7 -40.45 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.411 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -40.11 147.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.656 ' HA ' HD12 ' A' ' 59' ' ' LEU . 2.6 tmtt? -66.65 -49.12 67.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.13 -45.18 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 1.003 ' CE1' HD13 ' A' ' 101' ' ' LEU . 75.9 t80 -63.9 -42.34 97.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 56' ' ' LYS . 49.7 mt -56.06 -41.45 75.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.593 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 37.0 mtp -58.37 -52.51 65.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 111.045 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.3 mt -67.79 -42.85 86.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -54.01 -55.65 25.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 4.1 pt-20 -63.61 -43.91 95.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 60' ' ' MET . 1.8 m-85 -56.9 -42.14 79.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.501 HD13 ' HG ' ' A' ' 98' ' ' LEU . 53.9 mt -59.75 -57.38 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.9 m -55.6 -45.22 77.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -41.01 -42.6 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.367 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -70.73 -42.08 71.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.281 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.744 HD21 ' HB ' ' A' ' 94' ' ' VAL . 19.2 mt -49.66 -59.91 3.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 mt -50.11 -37.03 32.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.27 -28.21 63.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.456 HD12 HD23 ' A' ' 69' ' ' LEU . 68.9 mt -77.18 -34.93 56.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.72 -39.19 37.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.0 t -47.48 -24.4 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.954 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.451 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 76.3 t -70.6 130.37 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -108.4 103.77 51.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 79' ' ' GLY . 18.3 Cg_endo -75.04 -28.29 9.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.81 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 69.0 -59.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' PRO . . . -177.73 40.16 0.09 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.473 1.108 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.07 115.45 25.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.31 -54.71 43.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.9 -36.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.3 t -84.18 -56.85 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -46.3 -56.37 5.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.556 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 4.5 pt20 -49.5 -49.27 46.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.836 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -59.94 -46.62 88.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.451 ' NE ' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -58.16 -61.5 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -27.56 29.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -76.42 -59.98 2.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.67 ' HA2' HD21 ' A' ' 36' ' ' LEU . . . -51.88 -45.36 55.82 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.7 t -64.16 -48.94 83.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -59.73 -33.94 72.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.788 ' HD3' HD22 ' A' ' 36' ' ' LEU . 2.0 tttt -64.06 -68.32 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.744 ' HB ' HD21 ' A' ' 69' ' ' LEU . 47.2 t -42.8 -52.39 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -44.49 -55.11 5.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 21.3 m -53.08 -34.54 57.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 94' ' ' VAL . 31.2 mt -68.91 -42.16 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.501 ' HG ' HD13 ' A' ' 65' ' ' LEU . 5.7 mt -62.95 -48.08 80.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.89 -28.88 69.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -79.11 -46.0 18.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.003 HD13 ' CE1' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -49.12 -68.67 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 103' ' ' GLN . 8.4 pt-20 -39.31 -40.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 102' ' ' GLU . 4.2 mm-40 -70.42 -47.72 59.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.48 ' HG3' HG13 ' A' ' 46' ' ' VAL . 2.8 mmpt? -54.26 -34.87 61.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.908 ' HB1' ' CA ' ' A' ' 52' ' ' LYS . . . -74.83 -40.88 60.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.5 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.499 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.7 t-80 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 26' ' ' HIS . 18.3 Cg_endo -75.07 -35.04 3.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.946 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.499 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -50.61 -37.32 33.47 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.507 HG13 ' CB ' ' A' ' 86' ' ' ALA . 22.0 t -78.86 -59.36 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.4 mt -44.67 -35.68 2.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -48.48 -28.57 3.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.601 ' HA ' HD12 ' A' ' 35' ' ' ILE . 0.8 OUTLIER -93.58 -47.66 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.467 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 13.4 mt-10 -48.49 -35.23 12.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.21 73.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.608 HG23 ' OE1' ' A' ' 68' ' ' GLU . 9.8 mt -82.49 -55.54 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.698 HD11 ' HA2' ' A' ' 90' ' ' GLY . 4.5 mm? -42.09 -48.83 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.59 -39.91 17.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 41' ' ' GLY . 3.3 mtpp -76.29 -48.64 19.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.428 ' CG1' ' CD1' ' A' ' 97' ' ' ILE . 74.5 t -42.86 -49.67 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -47.51 -38.54 14.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.345 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . -67.08 -29.73 74.92 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 39' ' ' VAL . 85.8 mt -82.95 -20.6 34.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -74.06 -57.82 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.478 ' CG ' ' N ' ' A' ' 45' ' ' ALA . 14.5 pt20 -44.89 -46.08 10.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.478 ' N ' ' CG ' ' A' ' 44' ' ' GLN . . . -54.52 -45.05 73.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.629 HG22 ' HB2' ' A' ' 101' ' ' LEU . 29.2 t -62.43 -67.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.26 -27.35 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -124.49 45.36 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' ALA . 45.2 t80 -99.31 157.73 16.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -142.45 129.27 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.78 -161.09 24.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.97 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 3.3 mmtt -121.88 -164.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.747 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.583 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 8.8 mttp -82.18 4.91 21.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.8 p -104.94 -47.11 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.442 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.03 134.25 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.73 -37.93 60.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -49.12 -48.9 44.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.583 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 82.5 t80 -55.36 -46.03 76.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.528 ' N ' HD12 ' A' ' 59' ' ' LEU . 5.7 mp -62.43 -51.3 68.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.516 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 18.0 mtp -47.33 -53.73 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.85 -41.62 90.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -52.41 -60.22 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 4.1 pt-20 -60.82 -45.19 95.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.516 ' CD2' ' O ' ' A' ' 60' ' ' MET . 1.2 m-85 -52.57 -43.53 65.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.666 HD13 ' HG ' ' A' ' 98' ' ' LEU . 68.6 mt -61.16 -63.09 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.9 m -47.96 -42.35 27.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -46.01 -37.96 7.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.608 ' OE1' HG23 ' A' ' 35' ' ' ILE . 41.6 mm-40 -74.31 -32.75 62.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.694 HD21 ' HB ' ' A' ' 94' ' ' VAL . 66.9 mt -61.58 -54.98 35.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.408 HD23 HG22 ' A' ' 66' ' ' THR . 3.9 mm? -56.04 -34.62 66.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.44 -25.51 62.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.465 ' HB3' HG23 ' A' ' 91' ' ' VAL . 8.4 mt -82.65 -32.09 28.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.49 -30.55 64.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.2 t -64.19 -17.81 63.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 68.9 t -80.12 123.66 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.28 107.59 59.76 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.479 ' CG ' ' HG2' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.07 -19.95 17.19 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 77' ' ' PRO . 3.3 mt-10 68.52 -62.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' PRO . . . 179.72 36.23 0.07 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.427 ' NH1' ' CD2' ' A' ' 26' ' ' HIS . 2.5 mtp180 -114.85 115.8 27.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 0.734 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.86 -50.84 69.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -43.01 -32.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 85' ' ' GLN . 17.0 t -94.78 -62.82 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.479 ' HG2' ' CG ' ' A' ' 77' ' ' PRO . 2.6 mtt180 -37.72 -30.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.463 ' NE2' HH12 ' A' ' 88' ' ' ARG . 2.5 tp60 -75.25 -74.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.507 ' CB ' HG13 ' A' ' 29' ' ' VAL . . . -41.41 -29.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.445 ' N ' ' C ' ' A' ' 85' ' ' GLN . 2.9 ttt-85 -75.41 -63.92 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.463 HH12 ' NE2' ' A' ' 85' ' ' GLN . 0.4 OUTLIER -56.73 -26.2 56.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -75.1 -41.65 58.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.698 ' HA2' HD11 ' A' ' 36' ' ' LEU . . . -65.59 -48.39 68.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.465 HG23 ' HB3' ' A' ' 72' ' ' LEU . 16.4 t -60.14 -43.13 92.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.477 0.751 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -64.79 -33.12 75.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -64.54 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.694 ' HB ' HD21 ' A' ' 69' ' ' LEU . 21.2 t -46.37 -57.37 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -38.86 -59.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.3 m -52.21 -46.8 65.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.404 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 94' ' ' VAL . 67.0 mt -56.53 -45.11 82.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.666 ' HG ' HD13 ' A' ' 65' ' ' LEU . 6.3 mt -64.98 -31.3 72.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -77.03 -18.29 58.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -84.28 -53.69 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.629 ' HB2' HG22 ' A' ' 46' ' ' VAL . 15.3 tp -48.77 -49.85 36.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 101' ' ' LEU . 30.7 mt-10 -37.79 -58.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.26 -41.0 94.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.258 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -55.17 -31.45 61.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.97 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -97.26 27.73 4.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.488 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 49.0 t-80 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.529 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.2 Cg_endo -75.05 -34.44 3.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.488 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -55.43 -32.38 57.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.042 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.568 HG13 ' HB2' ' A' ' 86' ' ' ALA . 32.8 t -81.23 -58.6 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.6 mt -43.78 -36.04 2.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.562 ' O ' HD12 ' A' ' 35' ' ' ILE . 6.4 tttt -47.72 -33.04 6.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.649 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -87.52 -47.15 15.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.469 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 17.8 mt-10 -55.15 -41.89 72.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.4 -32.44 68.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 31' ' ' LYS . 20.8 mt -81.74 -54.6 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.517 HD21 ' HA2' ' A' ' 90' ' ' GLY . 7.7 mt -43.52 -38.81 3.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.2 -46.9 82.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -66.5 -40.26 89.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.849 HG22 ' CD ' ' A' ' 68' ' ' GLU . 73.0 t -50.43 -45.25 25.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -46.62 -36.66 7.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.49 -30.0 62.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.56 1.162 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.995 HD12 ' OE2' ' A' ' 68' ' ' GLU . 52.3 mt -85.4 -25.44 27.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.498 ' OE2' ' CE ' ' A' ' 100' ' ' LYS . 2.9 tm-20 -68.96 -46.69 67.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.43 ' CG ' ' N ' ' A' ' 45' ' ' ALA . 6.5 pt20 -56.03 -42.82 77.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' A' ' 44' ' ' GLN . . . -56.63 -36.63 69.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.956 HG22 ' HG ' ' A' ' 101' ' ' LEU . 9.9 t -68.87 -67.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -49.27 -22.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.0 t -118.86 37.19 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.58 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 58.7 t80 -97.89 172.16 7.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.58 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 4.7 pt-20 -165.18 125.59 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 147.22 -139.66 8.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.15 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.885 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -143.31 -172.69 3.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.614 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 2.9 mttp -83.26 3.35 31.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.9 p -109.28 -30.99 7.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.415 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -56.29 132.86 51.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -52.69 -39.32 61.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.25 -56.34 6.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.632 ' CD1' HD22 ' A' ' 101' ' ' LEU . 69.1 t80 -49.57 -49.18 47.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 59' ' ' LEU . 7.5 mp -56.42 -53.06 61.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.457 ' O ' ' CG ' ' A' ' 64' ' ' TYR . 3.9 ttp -46.92 -31.5 3.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' TYR . 97.2 mt -87.49 -54.96 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -39.33 -39.51 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 3.1 pt-20 -71.87 -44.18 64.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.573 ' HB3' HD22 ' A' ' 42' ' ' LEU . 17.0 m-30 -58.1 -40.43 81.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.484 HD21 HG22 ' A' ' 97' ' ' ILE . 6.7 mp -65.31 -78.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.739 ' HA ' HD12 ' A' ' 69' ' ' LEU . 1.8 m -36.98 -40.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.458 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.2 OUTLIER -37.45 -46.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.995 ' OE2' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -68.14 -50.04 57.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.739 HD12 ' HA ' ' A' ' 66' ' ' THR . 63.6 mt -42.88 -46.51 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.606 HD23 HG22 ' A' ' 66' ' ' THR . 4.4 mm? -63.45 -41.69 98.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' GLU . . . -67.91 -33.15 74.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.646 HD13 ' HA ' ' A' ' 91' ' ' VAL . 24.0 mt -67.12 -34.79 78.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -76.74 -36.74 56.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.4 t -55.06 -19.07 6.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.018 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.4 t -82.56 137.83 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -127.13 112.7 21.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.401 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.02 -33.28 4.68 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.466 1.772 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 67.11 21.68 10.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.45 -29.26 6.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -46.11 113.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.9 -52.08 47.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -48.67 -36.02 15.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.401 ' CG1' ' HB3' ' A' ' 77' ' ' PRO . 92.3 t -83.25 -51.17 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -50.57 -43.48 56.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -64.05 -60.81 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.649 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -41.59 -62.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -37.91 -52.72 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.285 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.71 -64.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -47.56 -56.49 7.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.517 ' HA2' HD21 ' A' ' 36' ' ' LEU . . . -49.72 -49.33 34.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.646 ' HA ' HD13 ' A' ' 72' ' ' LEU . 41.3 t -64.17 -56.65 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -49.97 -37.84 34.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.463 ' HB3' HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -56.13 -75.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.459 HG12 ' CD2' ' A' ' 98' ' ' LEU . 22.3 t -42.09 -45.49 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -48.8 -58.8 4.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.3 m -50.13 -38.28 38.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.388 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.625 HG22 HG21 ' A' ' 46' ' ' VAL . 13.2 mt -63.67 -46.46 94.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 98' ' ' LEU . 1.0 OUTLIER -53.68 -47.02 70.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.81 -24.86 66.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.498 ' CE ' ' OE2' ' A' ' 43' ' ' GLU . 13.0 ttpt -75.65 -58.92 2.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.956 ' HG ' HG22 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -39.84 -48.01 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.364 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 105' ' ' ALA . 3.6 mt-10 -47.84 -78.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.44 -38.34 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 2.8 mmpt? -57.7 -43.03 84.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.885 ' HB1' ' HA ' ' A' ' 52' ' ' LYS . . . -74.81 -44.63 48.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.092 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.407 ' HB2' ' CE ' ' A' ' 53' ' ' LYS . 23.3 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.959 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.485 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 55.7 t-80 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.611 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.2 Cg_endo -75.04 -33.84 4.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.485 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -56.12 -30.41 57.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.667 HG13 ' CB ' ' A' ' 86' ' ' ALA . 39.6 t -82.95 -57.63 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.4 mt -43.64 -34.82 1.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.545 ' O ' HD12 ' A' ' 35' ' ' ILE . 6.7 mttt -50.56 -36.77 36.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.77 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -79.72 -47.76 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.47 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 30.2 mt-10 -56.33 -34.38 66.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.25 -34.62 76.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.751 HG23 ' OE2' ' A' ' 68' ' ' GLU . 6.8 mt -81.61 -54.41 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 36' ' ' LEU . 7.2 mt -40.44 -49.94 2.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -44.78 19.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' ILE . 0.5 OUTLIER -68.2 -49.78 58.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.693 HG11 HG22 ' A' ' 94' ' ' VAL . 62.8 t -44.52 -52.96 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -41.82 -52.7 3.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.32 -38.93 63.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.4 mt -73.5 -36.63 65.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.708 ' HB2' HD13 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -67.82 -34.94 77.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.43 -30.42 70.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.64 -29.41 65.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 1.042 HG22 HD13 ' A' ' 101' ' ' LEU . 2.7 t -72.74 -60.95 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -40.82 -31.17 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.9 m -121.93 50.48 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.493 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 9.2 t80 -109.89 163.56 13.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.493 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 2.2 tt0 -147.9 134.19 19.51 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.53 -158.83 24.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.823 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 11.5 mmtt -123.32 -151.66 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.626 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 15.8 mttp -100.75 15.56 27.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.6 p -116.88 -39.82 3.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.619 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.2 m-20 -47.57 137.4 9.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -34.87 37.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' MET . 2.8 ttmt -51.1 -60.1 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.626 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 57.7 t80 -43.74 -52.49 6.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.701 ' H ' HD22 ' A' ' 59' ' ' LEU . 1.0 OUTLIER -66.58 -27.57 67.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.618 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.5 ttp -66.13 -42.55 88.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.686 HG22 HD13 ' A' ' 65' ' ' LEU . 50.6 mt -77.14 -58.32 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.777 ' OE1' HD11 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -37.29 -61.07 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.349 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.62 -64.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.618 ' CD2' ' O ' ' A' ' 60' ' ' MET . 22.0 m-85 -47.71 -47.01 30.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.792 HD23 HD22 ' A' ' 98' ' ' LEU . 10.8 mp -54.26 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' LEU . 9.1 m -46.51 -44.86 18.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -43.65 -39.66 3.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.751 ' OE2' HG23 ' A' ' 35' ' ' ILE . 8.3 mm-40 -70.46 -39.83 74.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.745 HD12 HG11 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -47.76 -57.0 6.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mt -52.29 -34.33 46.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 68' ' ' GLU . . . -73.93 -26.03 60.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.409 HD13 ' C ' ' A' ' 90' ' ' GLY . 52.4 mt -78.74 -32.35 46.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.86 -35.66 22.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.1 t -49.39 -23.33 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.462 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 70.5 t -70.9 136.25 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -114.94 102.82 54.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -22.05 15.18 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.18 -61.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -174.48 36.58 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.434 ' NE ' ' HE2' ' A' ' 26' ' ' HIS . 6.1 mmt180 -102.3 143.48 32.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.39 -57.92 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.09 -33.13 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.457 HG22 ' CG2' ' A' ' 29' ' ' VAL . 18.6 t -84.37 -57.02 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -40.51 -41.92 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -61.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.77 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -41.78 -56.4 2.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.462 ' NE ' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -47.3 -55.37 8.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -53.79 -61.59 2.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.9 -55.44 11.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.593 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -46.8 -38.97 10.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.6 t -81.86 -33.33 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 92' ' ' ARG . 5.4 tpt180 -65.86 -33.12 75.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.417 ' HB3' HD21 ' A' ' 36' ' ' LEU . 37.7 tptt -66.63 -52.21 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.782 HG12 HD23 ' A' ' 98' ' ' LEU . 12.4 t -58.93 -56.38 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -38.58 -56.93 1.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.6 m -51.9 -49.64 62.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.383 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.708 HD13 ' HB2' ' A' ' 43' ' ' GLU . 26.0 mt -57.34 -43.75 82.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.792 HD22 HD23 ' A' ' 65' ' ' LEU . 2.6 mm? -55.83 -30.94 62.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -83.66 -27.56 29.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.817 ' CG ' HG11 ' A' ' 46' ' ' VAL . 2.8 ptmt -73.67 -44.88 55.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.042 HD13 HG22 ' A' ' 46' ' ' VAL . 46.3 tp -48.6 -58.33 4.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 105' ' ' ALA . 6.7 mt-10 -36.93 -66.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -45.43 -44.61 12.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -64.43 -34.63 78.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.823 ' HB1' ' O ' ' A' ' 52' ' ' LYS . . . -100.05 29.52 4.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 -179.951 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.454 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 54.1 t-80 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.563 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -74.99 -39.01 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.454 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -54.85 -27.22 43.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.426 ' O ' HG22 ' A' ' 32' ' ' VAL . 94.2 t -85.85 -59.08 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.0 mt -42.78 -33.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.52 ' O ' HD12 ' A' ' 35' ' ' ILE . 5.8 tttt -51.01 -36.99 42.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.62 HG21 ' HB1' ' A' ' 86' ' ' ALA . 1.0 OUTLIER -84.91 -48.17 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 39.3 mt-10 -52.78 -32.86 45.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.49 -38.86 88.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.52 HD12 ' O ' ' A' ' 31' ' ' LYS . 8.4 mt -76.37 -59.63 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.501 HD23 ' HA ' ' A' ' 36' ' ' LEU . 11.1 mt -40.29 -43.62 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -49.68 -46.86 50.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' ILE . 25.2 mtpt -70.03 -46.52 64.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.466 ' HA ' HD12 ' A' ' 42' ' ' LEU . 53.2 t -40.84 -55.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -38.92 -48.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.47 -46.54 92.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.742 HD22 ' HB3' ' A' ' 64' ' ' TYR . 8.5 mt -65.25 -24.51 67.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' VAL . 3.8 tm-20 -71.16 -53.27 15.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -43.33 -41.64 4.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.91 96.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.594 HG22 ' HB2' ' A' ' 101' ' ' LEU . 21.3 t -66.52 -50.75 64.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -60.82 -15.18 27.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.5 42.69 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.921 ' CE1' ' HB2' ' A' ' 105' ' ' ALA . 3.6 t80 -103.18 166.81 10.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.64 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 3.0 pt-20 -165.52 128.1 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 152.97 -135.35 4.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.861 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -143.21 -176.38 4.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.608 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 48.5 mttt -77.82 -11.47 59.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.8 p -92.48 -42.03 9.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.364 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -41.82 136.87 1.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 57' ' ' LYS . 23.4 tptt -54.43 -48.98 71.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' LYS . 1.3 tppt? -40.25 -61.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.608 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 89.1 t80 -42.51 -50.08 5.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.0 mp -57.43 -55.66 31.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.572 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.3 mtp -43.13 -48.95 6.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.9 mt -69.08 -43.23 81.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.4 ' CD ' ' C ' ' A' ' 62' ' ' GLU . 3.4 tm-20 -54.73 -53.57 53.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.341 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 2.8 pt-20 -64.01 -43.58 95.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.742 ' HB3' HD22 ' A' ' 42' ' ' LEU . 1.7 m-85 -58.34 -48.66 79.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.718 HD13 HD22 ' A' ' 98' ' ' LEU . 64.3 mt -54.05 -71.55 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.432 ' HA ' HD12 ' A' ' 69' ' ' LEU . 1.3 m -43.63 -42.92 5.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -38.92 -45.57 1.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.586 ' OE1' HD13 ' A' ' 42' ' ' LEU . 13.9 mp0 -68.1 -47.08 69.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.86 HD21 ' HB ' ' A' ' 94' ' ' VAL . 81.4 mt -41.82 -54.27 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 mt -53.19 -43.66 67.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' GLU . . . -66.2 -23.02 66.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.2 mt -85.36 -51.35 6.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.467 ' O ' ' NH2' ' A' ' 87' ' ' ARG . 0.2 OUTLIER -64.52 -21.97 66.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.4 t -70.72 -5.52 30.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.476 ' O ' ' CZ ' ' A' ' 87' ' ' ARG . 59.4 t -84.15 130.5 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -110.95 99.38 42.48 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 79' ' ' GLY . 18.4 Cg_endo -74.96 -28.38 9.3 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.464 1.77 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 77' ' ' PRO . 0.3 OUTLIER 68.94 -59.07 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 77' ' ' PRO . . . -176.08 43.83 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -117.85 97.78 6.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 82' ' ' ASP . . . -40.14 -57.47 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 81' ' ' ALA . 0.6 OUTLIER -39.64 -49.58 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.347 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 84' ' ' ARG . 13.9 t -76.24 -62.33 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' VAL . 25.8 mtp180 -36.79 -41.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ARG . 1.0 OUTLIER -71.0 -66.63 0.59 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.244 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.62 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -44.94 -59.1 2.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.476 ' CZ ' ' O ' ' A' ' 75' ' ' VAL . 49.7 ttt180 -48.13 -26.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' GLN . 1.2 mtt-85 -82.4 -61.95 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -50.89 -22.21 2.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.86 -67.37 2.0 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.516 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 14.8 m -56.59 -34.5 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -60.17 -44.43 95.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.435 ' CE ' HD11 ' A' ' 97' ' ' ILE . 3.5 tptt -53.47 -60.58 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.86 ' HB ' HD21 ' A' ' 69' ' ' LEU . 13.0 t -47.4 -54.93 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -42.23 -52.01 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.9 m -57.71 -41.39 81.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 94' ' ' VAL . 57.1 mt -61.89 -41.74 91.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.718 HD22 HD13 ' A' ' 65' ' ' LEU . 2.1 mm? -56.98 -51.38 69.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -54.28 -37.44 64.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 101' ' ' LEU . 4.8 mtpt -61.44 -71.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.719 HD11 ' CD2' ' A' ' 49' ' ' PHE . 31.4 tp -40.52 -53.02 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -38.36 -57.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -34.38 78.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 101' ' ' LEU . 28.8 mmmt -60.42 -57.61 12.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.921 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . . . -84.28 48.08 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.443 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 62.7 t-80 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.735 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.2 Cg_endo -75.02 -35.82 2.9 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.58 1.831 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.443 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -55.02 -36.65 61.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.531 HG13 ' CB ' ' A' ' 86' ' ' ALA . 39.6 t -74.77 -59.08 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 27' ' ' PRO . 5.2 mt -39.92 -35.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.613 ' HG2' HG12 ' A' ' 75' ' ' VAL . 1.6 tttt -42.36 -35.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.012 HG21 ' HB1' ' A' ' 86' ' ' ALA . 1.2 m -84.32 -43.68 17.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.411 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 2.4 mt-10 -53.41 -34.26 57.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.73 -33.44 75.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.791 HG22 ' HB3' ' A' ' 68' ' ' GLU . 13.1 mt -81.42 -54.72 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.088 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 36' ' ' LEU . 8.8 mt -43.14 -37.54 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -45.65 -41.99 10.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.488 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -69.46 -49.0 59.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.587 ' CG2' HG22 ' A' ' 94' ' ' VAL . 84.0 t -45.81 -37.55 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -55.9 -31.92 63.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . -74.75 -27.68 64.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.752 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -91.18 -30.71 16.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 0.735 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -66.52 -43.35 85.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -71.65 -28.87 64.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -72.51 -48.81 37.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.747 HG22 ' HG ' ' A' ' 101' ' ' LEU . 11.0 t -56.24 -59.44 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.78 -35.34 4.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.95 49.05 1.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.964 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 31.0 t80 -107.98 163.06 13.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 4.9 tt0 -156.38 132.61 9.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 152.91 -131.02 3.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.9 ' CA ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -154.5 -171.34 3.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.613 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 5.0 mtmt -90.81 2.89 55.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.7 p -114.11 -19.1 11.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.392 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.38 159.94 17.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -75.24 -54.02 7.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -40.53 -46.9 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 1.018 ' CE1' HD13 ' A' ' 101' ' ' LEU . 63.5 t80 -54.81 -46.95 74.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.26 -34.25 73.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.454 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.2 ttp -60.26 -48.48 81.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.8 mt -66.55 -44.48 90.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -50.75 -66.13 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.35 -58.92 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.693 ' CB ' HD11 ' A' ' 42' ' ' LEU . 14.0 m-85 -51.68 -61.54 2.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.561 ' HB3' HD21 ' A' ' 98' ' ' LEU . 55.7 mt -39.38 -63.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.778 ' HA ' HD12 ' A' ' 69' ' ' LEU . 3.4 m -57.89 -48.41 79.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 110.393 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' THR . 58.5 mttt -39.82 -48.65 2.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.791 ' HB3' HG22 ' A' ' 35' ' ' ILE . 5.8 mm-40 -63.98 -42.44 97.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.793 HD21 ' HB ' ' A' ' 94' ' ' VAL . 47.1 mt -52.38 -58.0 8.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.449 HD23 HG22 ' A' ' 66' ' ' THR . 4.2 mm? -47.36 -39.11 14.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.659 ' C ' HD13 ' A' ' 35' ' ' ILE . . . -73.02 -32.91 65.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' LEU . 18.5 mt -65.03 -30.71 71.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -94.54 -17.61 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.8 t -61.8 -39.81 93.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.648 HG22 ' HD2' ' A' ' 87' ' ' ARG . 4.7 m -61.88 143.91 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.3 118.2 46.14 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.59 ' HA ' HG11 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.02 -20.34 16.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.555 1.819 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.446 ' OE1' ' NH1' ' A' ' 80' ' ' ARG . 16.2 mt-10 75.91 -66.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -173.88 33.69 0.11 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.446 ' NH1' ' OE1' ' A' ' 78' ' ' GLU . 0.5 OUTLIER -114.6 157.97 22.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.44 -42.76 8.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 1.178 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.29 -42.1 60.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.59 HG11 ' HA ' ' A' ' 77' ' ' PRO . 30.7 t -69.47 -55.82 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 88' ' ' ARG . 59.3 mtp180 -52.85 -47.17 67.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -44.24 -61.86 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 1.012 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -61.39 -48.9 79.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.648 ' HD2' HG22 ' A' ' 75' ' ' VAL . 0.8 OUTLIER -56.8 -18.51 13.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 84' ' ' ARG . 1.5 ttt180 -100.68 -35.36 9.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -68.3 -64.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.408 ' C ' HD13 ' A' ' 72' ' ' LEU . . . -43.88 -31.81 2.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 87' ' ' ARG . 75.8 t -70.92 -52.58 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.99 -24.69 59.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.566 ' HE2' HD11 ' A' ' 97' ' ' ILE . 6.0 tptm -65.54 -66.4 0.55 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.793 ' HB ' HD21 ' A' ' 69' ' ' LEU . 15.0 t -46.15 -51.3 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -43.73 -50.42 7.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.5 m -58.83 -31.96 68.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.602 HG22 HG21 ' A' ' 46' ' ' VAL . 29.6 mt -71.22 -39.95 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.591 ' CD2' HG12 ' A' ' 94' ' ' VAL . 2.5 mm? -63.08 -48.79 77.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.23 -21.41 65.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.457 ' O ' ' CG ' ' A' ' 104' ' ' LYS . 15.7 ttpp -89.97 -48.7 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.018 HD13 ' CE1' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -42.2 -55.96 3.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 105' ' ' ALA . 5.3 mt-10 -46.64 -73.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -39.9 -45.63 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 1.4 mmpt? -54.89 -48.35 73.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.239 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.9 ' HB1' ' CA ' ' A' ' 52' ' ' LYS . . . -66.13 -39.28 89.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.453 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 64.3 t-80 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.591 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.0 -36.58 2.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.78 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.453 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -58.25 -34.02 72.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.549 1.156 . . . . 0.0 111.047 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.608 ' O ' HG13 ' A' ' 32' ' ' VAL . 82.6 t -76.3 -56.99 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 27' ' ' PRO . 7.2 mt -43.79 -36.54 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.483 ' O ' HD12 ' A' ' 35' ' ' ILE . 4.8 tttt -45.5 -29.51 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.797 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.9 OUTLIER -87.46 -46.59 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.457 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 6.3 mt-10 -56.21 -33.12 65.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.29 -32.53 72.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.824 HG21 ' HG ' ' A' ' 72' ' ' LEU . 20.6 mt -81.88 -54.62 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 36' ' ' LEU . 8.3 mt -43.86 -36.86 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -50.41 -38.3 42.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.505 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 25.6 mttt -72.93 -48.54 36.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.501 ' CG1' ' CD1' ' A' ' 97' ' ' ILE . 93.5 t -46.55 -36.68 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.178 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -57.54 -31.08 65.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 110.261 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.87 -25.44 69.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.698 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -94.22 -34.49 12.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.745 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.609 ' HB2' HD13 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -69.34 -39.6 78.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.255 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.31 -24.89 62.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -80.29 -39.5 28.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.473 HG22 HD13 ' A' ' 101' ' ' LEU . 10.9 t -62.78 -52.99 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -57.99 -19.3 29.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.46 16.73 15.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.763 ' CD2' HD12 ' A' ' 101' ' ' LEU . 43.6 t80 -94.16 138.98 31.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -138.27 21.27 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.43 ' HA3' ' CE1' ' A' ' 49' ' ' PHE . . . -82.14 -142.28 3.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.781 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.2 OUTLIER -147.81 -170.79 3.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.771 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.419 ' N ' ' HB1' ' A' ' 105' ' ' ALA . 8.4 mttt -84.74 7.15 21.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.5 p -114.12 -32.9 5.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -54.16 155.75 3.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.471 ' HA ' HD12 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -72.44 -43.55 63.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -46.19 -48.77 17.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.567 ' CE1' ' HG ' ' A' ' 101' ' ' LEU . 67.5 t80 -55.7 -41.2 73.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 56' ' ' LYS . 13.2 mt -69.26 -33.6 73.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.599 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 3.2 mtp -68.93 -45.48 70.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.657 HG22 HD22 ' A' ' 101' ' ' LEU . 47.3 mt -67.38 -31.46 53.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -70.53 -53.03 17.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.255 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 2.8 pt-20 -55.5 -44.75 76.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 60' ' ' MET . 21.2 m-85 -67.02 -60.8 2.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.503 HD22 HG13 ' A' ' 94' ' ' VAL . 34.8 mt -38.11 -50.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.2 m -65.05 -46.21 82.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.438 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 64' ' ' TYR . 25.1 mttp -45.19 -41.73 8.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.622 ' OE1' HG23 ' A' ' 35' ' ' ILE . 53.6 mm-40 -70.13 -33.59 72.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.911 HD21 ' HB ' ' A' ' 94' ' ' VAL . 30.8 mt -61.92 -58.34 8.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -51.43 -35.36 39.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.37 -26.3 61.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.824 ' HG ' HG21 ' A' ' 35' ' ' ILE . 36.1 mt -79.65 -28.63 40.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -78.02 -37.62 46.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -57.06 -17.33 9.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 75.6 t -82.63 121.25 35.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -113.94 111.89 47.84 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -22.92 14.2 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 73.74 -63.94 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -164.94 31.37 0.23 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -105.61 130.89 53.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 110.341 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.92 -43.25 18.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.13 -30.52 59.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.56 ' HA ' HG22 ' A' ' 29' ' ' VAL . 39.9 t -86.17 -48.24 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.26 -47.63 68.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.549 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 6.4 pt20 -56.92 -48.92 77.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.797 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -64.84 -44.45 89.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -43.65 97.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -60.02 -49.38 77.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER -62.32 -35.69 79.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.257 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.526 ' C ' HD13 ' A' ' 72' ' ' LEU . . . -52.29 -60.95 7.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.486 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 3.2 m -68.08 -48.74 73.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.738 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.456 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 0.2 OUTLIER -52.13 -35.88 49.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.494 ' CE ' HD11 ' A' ' 97' ' ' ILE . 6.2 tptm -63.22 -48.1 79.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.911 ' HB ' HD21 ' A' ' 69' ' ' LEU . 19.0 t -65.25 -57.77 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 94' ' ' VAL . 28.2 mt-30 -36.63 -44.65 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.3 m -67.03 -51.88 49.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.609 HD13 ' HB2' ' A' ' 43' ' ' GLU . 12.9 mt -57.58 -40.97 77.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.8 mt -58.76 -46.16 88.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -31.88 72.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.41 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 1.2 mtpt -65.63 -60.71 2.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.763 HD12 ' CD2' ' A' ' 49' ' ' PHE . 52.5 tp -40.56 -49.15 2.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -42.57 -70.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -60.01 -45.98 90.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -46.5 -40.31 12.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.781 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -63.98 -41.44 97.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.48 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 62.3 t-80 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.706 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.4 Cg_endo -75.02 -36.34 2.59 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.468 1.773 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.502 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -51.94 -34.53 38.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.82 HG13 ' CB ' ' A' ' 86' ' ' ALA . 31.3 t -79.54 -54.92 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.361 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 27' ' ' PRO . 6.0 mt -45.76 -36.86 5.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.38 -34.51 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.742 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.9 OUTLIER -83.84 -46.48 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.457 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 2.1 mt-10 -54.62 -36.07 64.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.22 -32.97 73.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.457 ' CG2' ' HB3' ' A' ' 68' ' ' GLU . 19.6 mt -85.29 -46.08 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.595 HD22 ' HG2' ' A' ' 93' ' ' LYS . 15.5 mt -49.71 -36.82 26.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -39.8 89.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.5 -35.04 60.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' LEU . 42.7 t -50.77 -46.48 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -46.21 -43.4 15.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.98 -28.13 72.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.717 HD22 ' HB3' ' A' ' 64' ' ' TYR . 65.9 mt -86.87 -22.1 25.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.498 ' HB2' HD13 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -86.15 -35.26 20.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.436 ' CG ' ' N ' ' A' ' 45' ' ' ALA . 11.0 pt20 -65.23 -43.78 90.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -58.71 -32.04 68.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.949 HG22 HD13 ' A' ' 101' ' ' LEU . 4.6 t -66.83 -61.31 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -48.08 -25.78 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.5 t -92.29 -28.49 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.609 ' CE2' ' HB2' ' A' ' 105' ' ' ALA . 49.2 t80 -65.47 151.9 45.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -154.84 22.34 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.53 -136.92 0.44 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.998 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.1 OUTLIER -143.79 -171.52 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.584 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 14.1 mttp -83.35 5.13 24.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -110.87 -50.08 2.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -41.82 138.63 1.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -58.59 -42.88 89.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.84 -56.99 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.584 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 63.3 t80 -50.07 -47.29 53.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 111.034 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 59' ' ' LEU . 7.3 mp -62.91 -52.8 61.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.605 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 2.2 ttp -45.71 -42.98 12.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.824 HG22 ' CD1' ' A' ' 65' ' ' LEU . 32.8 mt -77.46 -43.11 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -48.38 -44.4 34.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.469 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 2.4 pt-20 -72.12 -41.95 66.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.717 ' HB3' HD22 ' A' ' 42' ' ' LEU . 12.1 m-30 -56.53 -39.87 74.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.927 HD21 HG22 ' A' ' 97' ' ' ILE . 10.4 mp -62.16 -77.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.926 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.1 m -37.5 -42.9 0.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.409 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' THR . 17.9 mttp -39.73 -44.59 1.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.36 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.457 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 5.8 mm-40 -67.65 -45.02 76.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.926 HD12 ' HA ' ' A' ' 66' ' ' THR . 10.3 mt -46.78 -50.72 17.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 74' ' ' SER . 3.6 mm? -58.76 -38.35 78.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.71 -20.22 59.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.501 HD13 ' C ' ' A' ' 90' ' ' GLY . 33.1 mt -89.97 -25.83 20.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -98.95 -15.94 18.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' LEU . 13.9 t -66.1 -37.73 86.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.571 HG22 ' HD2' ' A' ' 87' ' ' ARG . 5.3 m -66.64 141.51 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -112.7 117.63 46.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.432 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.02 -22.03 15.2 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.01 32.27 21.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.9 -21.26 44.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -53.5 97.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 0.781 . . . . 0.0 110.335 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.75 -47.02 71.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.88 -43.56 63.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.581 ' HA ' HG22 ' A' ' 29' ' ' VAL . 64.6 t -74.2 -51.07 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.432 ' HG3' ' CG ' ' A' ' 77' ' ' PRO . 4.4 mtt180 -49.22 -48.3 45.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 89' ' ' ASP . 1.1 tt0 -51.19 -59.39 4.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.82 ' CB ' HG13 ' A' ' 29' ' ' VAL . . . -59.2 -36.34 75.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.571 ' HD2' HG22 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -64.03 -41.95 97.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -22.76 37.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 85' ' ' GLN . 41.1 t0 -79.03 -45.89 19.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.611 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -56.69 -47.81 82.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.524 ' HA ' HD23 ' A' ' 69' ' ' LEU . 34.7 m -60.32 -44.65 96.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.763 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 23.3 ttt-85 -56.28 -44.88 80.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 110.344 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.595 ' HG2' HD22 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -55.55 -47.77 75.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 90' ' ' GLY . 11.3 t -64.91 -53.19 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -40.56 -58.16 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 99' ' ' GLU . 3.1 m -50.46 -56.46 11.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.927 HG22 HD21 ' A' ' 65' ' ' LEU . 55.0 mt -47.51 -49.5 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.469 ' HG ' ' CD2' ' A' ' 65' ' ' LEU . 4.2 mt -55.84 -27.97 54.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 96' ' ' THR . 2.8 tt0 -82.73 -28.36 30.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.87 ' CG ' HG11 ' A' ' 46' ' ' VAL . 3.6 ptmt -72.74 -44.01 62.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.949 HD13 HG22 ' A' ' 46' ' ' VAL . 12.2 tp -52.07 -57.31 9.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 101' ' ' LEU . 54.0 mt-10 -37.39 -57.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -53.36 -41.89 66.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 110.336 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -61.2 -38.44 86.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.998 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -96.96 36.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.488 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 63.6 t-80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.705 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -74.98 -37.46 2.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.529 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -54.61 -29.03 47.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.933 HG13 ' HB2' ' A' ' 86' ' ' ALA . 59.5 t -82.97 -56.67 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.774 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.8 mt -43.83 -35.66 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -48.05 -35.19 10.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.807 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -82.76 -46.5 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.447 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 11.3 mt-10 -51.27 -34.65 33.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.22 89.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.518 HD13 ' C ' ' A' ' 71' ' ' ALA . 12.7 mt -77.9 -49.19 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.598 ' CD2' HD21 ' A' ' 72' ' ' LEU . 3.9 mm? -48.36 -35.12 11.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -48.18 82.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' C ' ' OE2' ' A' ' 68' ' ' GLU . 4.0 mtpp -61.26 -36.62 80.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.543 ' HA ' HD23 ' A' ' 42' ' ' LEU . 98.9 t -56.62 -33.22 39.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.468 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 8.6 mt-30 -55.64 -30.8 61.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.98 -26.69 68.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.631 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.4 mm? -91.28 -37.16 13.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.439 0.729 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.693 ' HB2' HD13 ' A' ' 97' ' ' ILE . 0.2 OUTLIER -72.72 -42.59 63.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.468 ' CG ' ' O ' ' A' ' 40' ' ' GLN . 12.9 mm100 -64.29 -31.74 73.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' SER . . . -74.45 -40.12 62.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.896 HG11 ' CG ' ' A' ' 100' ' ' LYS . 4.9 t -58.12 -64.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -44.08 -27.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 45' ' ' ALA . 23.4 t -125.08 46.61 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.52 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 2.9 t80 -116.77 165.53 13.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.52 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 2.0 tt0 -160.07 134.3 7.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 159.74 -131.97 2.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.662 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -154.9 -170.88 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.597 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 1.6 mtmp? -88.59 5.69 41.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 71.5 p -114.44 -30.19 6.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.06 156.57 2.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -80.3 -32.85 38.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -40.7 80.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.982 ' CE1' HD13 ' A' ' 101' ' ' LEU . 56.2 t80 -64.38 -43.39 94.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 56' ' ' LYS . 22.9 mt -59.14 -35.2 73.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.595 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 3.3 mtp -58.89 -50.69 73.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.511 HG21 HG23 ' A' ' 46' ' ' VAL . 12.1 mt -72.25 -36.54 56.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.606 ' OE1' ' CE2' ' A' ' 58' ' ' TYR . 2.3 tt0 -64.43 -50.39 67.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.477 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 4.5 pt-20 -61.7 -44.53 96.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.344 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 60' ' ' MET . 3.1 m-85 -59.95 -65.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 64' ' ' TYR . 26.4 mt -34.11 -56.34 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' LEU . 3.1 m -57.08 -48.69 77.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.425 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 64' ' ' TYR . 18.5 mttm -47.78 -34.21 8.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.489 ' OE2' ' N ' ' A' ' 39' ' ' VAL . 18.0 mt-10 -74.37 -33.03 62.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.87 HD12 HG11 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -58.76 -55.92 28.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.3 mt -51.35 -33.01 27.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.518 ' C ' HD13 ' A' ' 35' ' ' ILE . . . -69.59 -28.26 65.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.598 HD21 ' CD2' ' A' ' 36' ' ' LEU . 17.4 mt -81.56 -29.41 33.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.367 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.12 -39.55 33.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.8 t -53.55 -19.9 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.7 t -74.02 126.96 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -110.26 113.47 56.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.475 ' O ' ' CD ' ' A' ' 80' ' ' ARG . 18.2 Cg_endo -75.02 -32.42 5.37 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 64.43 11.47 6.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 101.87 50.36 1.18 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.475 ' CD ' ' O ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -126.18 101.36 6.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 0.792 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 85' ' ' GLN . . . -39.74 -55.24 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.97 -63.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.529 HG13 ' O ' ' A' ' 28' ' ' GLY . 4.2 t -61.5 -56.19 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -43.56 -31.53 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.454 ' CD ' ' N ' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -76.22 -69.5 0.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.933 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -39.32 -32.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -72.3 -67.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.55 -34.88 12.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.69 -54.83 5.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.466 ' HA2' HD11 ' A' ' 36' ' ' LEU . . . -42.41 -59.86 2.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.9 m -54.11 -45.5 65.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.355 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -46.82 42.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -56.42 -49.62 74.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.87 HG11 HD12 ' A' ' 69' ' ' LEU . 59.9 t -64.71 -56.75 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -38.9 -54.84 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.2 m -54.55 -56.84 14.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.366 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.693 HD13 ' HB2' ' A' ' 43' ' ' GLU . 40.5 mt -48.04 -53.66 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 98' ' ' LEU . 7.9 mt -49.08 -35.26 15.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.89 -29.5 50.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.256 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.896 ' CG ' HG11 ' A' ' 46' ' ' VAL . 1.1 ptmt -74.32 -39.09 63.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.982 HD13 ' CE1' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -51.89 -55.33 20.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 105' ' ' ALA . 7.2 mt-10 -38.49 -69.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -42.15 -40.74 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.575 ' HG3' HG13 ' A' ' 46' ' ' VAL . 2.5 mmpt? -65.16 -44.19 89.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.662 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -92.43 33.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.498 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.6 t-80 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.481 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -74.99 -35.75 2.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.498 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -52.58 -33.9 42.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.761 HG13 ' HB2' ' A' ' 86' ' ' ALA . 20.4 t -83.79 -57.58 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 27' ' ' PRO . 5.1 mt -43.8 -36.68 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.78 ' O ' HD12 ' A' ' 35' ' ' ILE . 6.8 tttt -46.64 -33.03 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.876 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -87.86 -47.34 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.471 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 3.1 mt-10 -55.31 -31.55 61.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.2 -40.47 96.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.78 HD12 ' O ' ' A' ' 31' ' ' LYS . 4.1 mt -78.65 -47.79 23.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.626 HD21 ' HA2' ' A' ' 90' ' ' GLY . 14.0 mt -46.45 -42.87 15.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -56.83 -50.58 71.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -59.78 -44.63 93.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.585 HG11 HG22 ' A' ' 94' ' ' VAL . 98.9 t -48.03 -48.28 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -39.65 -50.6 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.12 -43.67 88.62 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.794 HD22 ' HB3' ' A' ' 64' ' ' TYR . 24.6 mt -67.43 -29.66 69.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.548 ' OE1' HG23 ' A' ' 97' ' ' ILE . 3.4 tp10 -77.84 -28.0 50.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.251 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -65.73 -33.25 75.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -71.22 -38.37 72.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.607 HG22 ' HB2' ' A' ' 101' ' ' LEU . 22.2 t -65.78 -42.05 91.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.35 -20.81 64.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.18 54.64 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.967 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' A' ' 50' ' ' GLU . 0.9 OUTLIER -102.55 160.24 14.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.578 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 22.3 mt-10 -136.64 116.52 13.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.245 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.55 -179.33 25.48 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.919 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -109.71 -167.39 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 0.778 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.436 ' HG2' ' CE2' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -83.64 7.63 16.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -115.58 -32.11 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.91 153.07 2.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.423 ' HA ' HD12 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -68.62 -49.45 59.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.83 -46.32 7.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.467 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 41.9 t80 -59.43 -42.08 91.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 56' ' ' LYS . 35.6 mt -63.5 -39.57 94.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.51 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 3.2 mtp -57.66 -51.02 71.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.428 HG22 ' CD1' ' A' ' 65' ' ' LEU . 20.9 mt -63.39 -38.52 82.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -56.7 -59.86 4.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 5.4 pt-20 -61.47 -44.77 96.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.794 ' HB3' HD22 ' A' ' 42' ' ' LEU . 1.9 m-85 -54.18 -44.49 71.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.655 ' HB3' HD21 ' A' ' 98' ' ' LEU . 13.9 mt -60.05 -64.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.855 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.5 m -48.41 -44.47 35.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.422 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -40.31 -42.76 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.727 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 9.9 mm-40 -69.31 -44.03 72.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.855 HD12 ' HA ' ' A' ' 66' ' ' THR . 11.6 mt -48.12 -49.26 32.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -56.25 -16.97 6.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.727 ' HB3' ' O ' ' A' ' 68' ' ' GLU . . . -82.3 -18.71 41.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.547 ' HG ' HG12 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -75.34 -61.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.457 ' HA ' ' NH2' ' A' ' 87' ' ' ARG . 3.8 t70 -50.89 -44.95 59.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.42 -27.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.415 ' N ' ' C ' ' A' ' 73' ' ' ASP . 59.0 t -73.29 132.01 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.5 102.22 46.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -24.0 13.24 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.545 1.813 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 74.39 -64.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.307 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.54 36.8 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.03 149.37 28.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.83 -48.94 7.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -50.82 -27.86 8.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.0 t -90.66 -54.56 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -45.44 -35.18 3.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.245 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -73.75 -59.6 2.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.876 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -39.13 -46.38 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.457 ' NH2' ' HA ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -57.56 -71.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.91 -52.09 15.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.6 -40.54 79.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.626 ' HA2' HD21 ' A' ' 36' ' ' LEU . . . -64.74 -65.23 3.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.568 ' HA ' HD23 ' A' ' 69' ' ' LEU . 27.7 m -45.22 -46.18 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -49.57 -57.66 6.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.706 ' CE ' HD11 ' A' ' 97' ' ' ILE . 5.0 tptm -37.89 -52.58 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.848 ' HA ' HD12 ' A' ' 97' ' ' ILE . 3.5 t -61.2 -53.6 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -40.8 -58.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.4 m -49.82 -45.64 50.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 94' ' ' VAL . 16.2 mt -59.78 -36.8 68.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.655 HD21 ' HB3' ' A' ' 65' ' ' LEU . 2.6 mm? -65.3 -55.77 16.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.48 -19.34 36.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 104' ' ' LYS . 4.8 ttpp -76.43 -72.87 0.31 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.607 ' HB2' HG22 ' A' ' 46' ' ' VAL . 8.1 tp -41.68 -46.48 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.76 -44.26 77.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 100' ' ' LYS . 4.0 mm-40 -93.28 9.53 35.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.561 ' HG3' ' N ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -102.05 -47.46 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.919 ' HB1' ' HA ' ' A' ' 52' ' ' LYS . . . -59.22 -52.44 65.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.959 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.492 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 59.1 t-80 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.907 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.4 Cg_endo -74.98 -35.44 3.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.781 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.615 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -53.97 -34.45 52.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.806 HG13 ' HB2' ' A' ' 86' ' ' ALA . 21.7 t -75.97 -52.77 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.766 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.907 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.2 mt -47.85 -35.13 9.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.488 ' HG2' HG12 ' A' ' 75' ' ' VAL . 6.5 tttt -41.46 -40.34 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.65 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.9 OUTLIER -77.41 -46.03 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.443 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 3.2 mt-10 -56.0 -32.79 64.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.76 95.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.7 mt -73.21 -48.75 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 32' ' ' VAL . 4.5 mm? -51.52 -34.4 36.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -34.85 73.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -84.26 -44.24 14.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.753 HG22 ' HG3' ' A' ' 68' ' ' GLU . 75.0 t -43.63 -47.13 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -45.18 -47.66 12.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.24 -31.42 62.33 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 64' ' ' TYR . 85.4 mt -79.13 -31.01 44.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.52 ' HG2' HG23 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -65.12 -36.76 85.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -60.75 -40.41 92.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -60.85 -50.09 74.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.864 HG22 HD13 ' A' ' 101' ' ' LEU . 24.2 t -59.21 -61.31 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.18 -25.46 5.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.7 p -118.06 35.98 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.026 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.459 ' CD1' ' HD3' ' A' ' 57' ' ' LYS . 76.7 t80 -100.28 165.68 11.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.454 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 1.9 pt-20 -163.86 120.11 1.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 154.85 -131.91 3.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.875 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -145.82 -169.58 3.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.777 . . . . 0.0 109.267 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.531 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 11.9 mttp -83.39 -13.39 55.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.9 -31.23 16.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.404 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.505 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 12.3 m-20 -55.89 148.1 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 59' ' ' LEU . 2.8 tmtm? -64.38 -46.06 84.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.459 ' HD3' ' CD1' ' A' ' 49' ' ' PHE . 11.7 ttmt -42.65 -31.83 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.531 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 86.7 t80 -80.52 -40.97 25.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 55' ' ' ASP . 8.5 mp -63.65 -52.13 62.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.642 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 3.5 ptm -57.29 -30.48 64.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 64' ' ' TYR . 41.2 mt -77.94 -62.39 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 61' ' ' ILE . 0.6 OUTLIER -36.68 -50.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.573 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -56.23 -46.57 79.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.642 ' CD2' ' O ' ' A' ' 60' ' ' MET . 16.7 m-30 -61.63 -46.58 89.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.785 ' HB3' HD21 ' A' ' 98' ' ' LEU . 3.9 mp -56.41 -72.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.8 m -44.35 -44.37 8.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.425 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 66' ' ' THR . 10.7 mttt -39.19 -47.32 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.753 ' HG3' HG22 ' A' ' 39' ' ' VAL . 4.9 mm-40 -59.59 -47.27 86.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -46.13 -57.93 4.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.9 mt -48.93 -41.87 35.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.85 -30.96 69.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.619 HD21 ' CD2' ' A' ' 36' ' ' LEU . 14.1 mt -72.65 -26.32 61.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.33 -29.92 15.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.6 t -53.24 -45.37 68.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.017 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.591 ' CG2' ' HD2' ' A' ' 87' ' ' ARG . 17.7 m -55.79 147.93 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.46 116.42 43.86 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.439 ' HG3' ' NH1' ' A' ' 87' ' ' ARG . 18.3 Cg_endo -75.0 -23.19 14.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 68.08 8.67 6.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 101.52 -6.27 55.25 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.71 102.74 1.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.47 -48.14 19.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.62 -51.59 8.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.615 HG13 ' O ' ' A' ' 28' ' ' GLY . 45.4 t -70.46 -59.45 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.449 ' HA ' ' NH1' ' A' ' 87' ' ' ARG . 5.6 mtt180 -38.9 -47.97 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -58.35 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.806 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -49.15 -52.72 24.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.813 ' O ' HG23 ' A' ' 91' ' ' VAL . 3.2 ttp-105 -49.03 -38.02 22.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -68.95 -67.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.36 -55.22 3.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.585 ' HA3' HD21 ' A' ' 36' ' ' LEU . . . -49.62 -46.17 38.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 87' ' ' ARG . 55.0 t -64.54 -47.13 90.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 0.766 . . . . 0.0 109.328 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.2 -30.82 68.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.478 ' HG2' HD12 ' A' ' 36' ' ' LEU . 4.5 tptm -67.44 -55.73 12.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.714 ' HA ' HD12 ' A' ' 97' ' ' ILE . 44.1 t -55.2 -50.96 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -45.78 -47.1 15.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.0 m -56.91 -31.2 64.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.714 HD12 ' HA ' ' A' ' 94' ' ' VAL . 38.5 mt -68.48 -38.15 78.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.785 HD21 ' HB3' ' A' ' 65' ' ' LEU . 4.3 mm? -64.4 -53.37 49.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -18.33 22.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.446 ' O ' ' CG ' ' A' ' 104' ' ' LYS . 24.0 ttpp -83.46 -59.19 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.864 HD13 HG22 ' A' ' 46' ' ' VAL . 40.8 tp -45.22 -53.83 7.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 101' ' ' LEU . 18.3 mt-10 -38.69 -69.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -51.65 -43.35 62.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 2.3 mmpt? -50.96 -41.8 59.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.875 ' HB1' ' HA ' ' A' ' 52' ' ' LYS . . . -73.27 -45.75 53.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.7 m . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 59.4 t-80 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.853 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.5 Cg_endo -74.9 -36.2 2.78 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.5 1.79 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.53 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -52.94 -33.29 43.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.66 HG13 ' CB ' ' A' ' 86' ' ' ALA . 21.6 t -77.79 -56.67 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.8 mt -42.49 -36.25 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.62 ' O ' HD12 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -43.81 -31.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.617 HG13 ' O ' ' A' ' 29' ' ' VAL . 1.0 OUTLIER -85.48 -46.54 17.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.45 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 9.6 mt-10 -54.58 -38.61 66.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.2 70.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.62 HD12 ' O ' ' A' ' 31' ' ' LYS . 7.0 mt -83.57 -52.52 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 36' ' ' LEU . 9.3 mt -45.92 -37.2 6.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.82 -40.79 73.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' ILE . 4.0 mttt -75.69 -41.95 52.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 42' ' ' LEU . 50.5 t -43.8 -51.46 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -46.74 -45.15 19.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.9 -24.77 71.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.835 HD22 ' HB3' ' A' ' 64' ' ' TYR . 53.5 mt -91.16 -19.73 22.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -86.94 -33.52 19.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.422 ' CG ' ' N ' ' A' ' 45' ' ' ALA . 12.1 pt20 -59.29 -41.75 89.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -60.35 -37.89 82.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.871 HG22 ' HG ' ' A' ' 101' ' ' LEU . 11.6 t -61.2 -71.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.24 -26.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -119.52 41.29 3.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.03 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.586 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 35.4 t80 -99.24 171.87 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.586 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 1.9 mt-10 -159.5 138.88 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.45 -143.5 14.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.821 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -144.44 -176.24 4.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 109.273 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.618 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 4.7 mtmp? -72.19 -5.6 36.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.487 HG22 ' N ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -91.93 -52.9 4.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.487 ' N ' HG22 ' A' ' 54' ' ' THR . 46.7 m-20 -39.35 129.25 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -55.43 -21.76 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -58.29 -56.39 22.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.707 ' CE1' HD13 ' A' ' 101' ' ' LEU . 75.9 t80 -51.29 -46.96 62.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 59' ' ' LEU . 6.7 mp -56.12 -50.19 71.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.68 -58.9 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.746 HG22 HD13 ' A' ' 65' ' ' LEU . 76.4 mt -52.42 -58.96 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.367 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.444 ' CD ' ' C ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -37.79 -46.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.306 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.555 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -60.85 -53.19 60.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.835 ' HB3' HD22 ' A' ' 42' ' ' LEU . 33.0 m-85 -52.16 -42.7 63.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.746 HD13 HG22 ' A' ' 61' ' ' ILE . 9.4 mp -60.75 -73.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.537 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.1 m -39.86 -41.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.43 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -40.51 -45.97 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 12.2 mm-40 -66.67 -41.44 88.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.792 ' HG ' HG11 ' A' ' 94' ' ' VAL . 64.0 mt -52.53 -52.94 52.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.533 HD23 HG22 ' A' ' 66' ' ' THR . 4.4 mm? -57.68 -39.8 77.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.14 -26.17 64.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.55 ' HG ' HG21 ' A' ' 35' ' ' ILE . 8.4 mt -76.26 -23.43 54.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -92.7 -19.76 21.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.1 t -65.7 -44.13 87.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.547 ' CG2' ' HD2' ' A' ' 87' ' ' ARG . 6.4 m -59.01 144.68 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -112.46 117.41 47.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.606 ' HA ' HG11 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.01 -36.69 2.4 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.468 1.773 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 70.9 66.08 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 42.09 42.96 4.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.453 1.096 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -124.67 100.55 6.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 0.732 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.98 -39.46 41.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.4 -48.21 62.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.606 HG11 ' HA ' ' A' ' 77' ' ' PRO . 59.8 t -80.44 -51.79 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -48.54 -58.14 5.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.334 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -43.65 -56.73 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.273 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.66 ' CB ' HG13 ' A' ' 29' ' ' VAL . . . -50.45 -50.92 50.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.547 ' HD2' ' CG2' ' A' ' 75' ' ' VAL . 6.7 ttp180 -49.32 -46.46 46.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -69.62 -49.66 51.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -48.89 -42.76 37.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.95 -50.47 18.23 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.483 HG23 ' HB3' ' A' ' 72' ' ' LEU . 4.5 t -54.32 -35.59 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -67.98 -33.83 75.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -50.14 73.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.804 ' HA ' HD12 ' A' ' 97' ' ' ILE . 13.0 t -57.27 -49.0 81.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -46.65 -57.72 4.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.8 m -48.84 -48.52 41.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.36 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' A' ' 94' ' ' VAL . 11.6 mt -57.19 -42.65 80.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.666 HD22 HD23 ' A' ' 65' ' ' LEU . 2.3 mm? -59.99 -27.4 66.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -76.72 -32.47 57.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.452 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 7.1 mtpt -71.06 -56.47 6.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.871 ' HG ' HG22 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -38.17 -53.63 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 105' ' ' ALA . 0.6 OUTLIER -41.74 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -48.48 -35.23 12.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 0.5 OUTLIER -62.8 -31.1 72.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.821 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -105.66 31.06 5.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.005 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.492 ' CE1' ' H ' ' A' ' 28' ' ' GLY . 63.3 t-80 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.04 -34.85 3.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.777 . . . . 0.0 110.988 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.614 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -51.84 -27.67 21.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.542 1.152 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.535 HG13 ' HB2' ' A' ' 86' ' ' ALA . 41.0 t -86.13 -45.36 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.687 HD23 ' N ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -64.79 -28.6 69.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -49.84 -25.19 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 29' ' ' VAL . 0.8 OUTLIER -90.68 -45.39 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.435 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 7.2 mt-10 -53.17 -37.95 62.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.02 77.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.735 HG21 ' HB3' ' A' ' 71' ' ' ALA . 15.0 mt -79.95 -50.84 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.585 HD11 ' HA2' ' A' ' 90' ' ' GLY . 12.9 mt -46.52 -35.78 6.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.48 -45.27 13.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -64.5 -48.35 75.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.575 HG21 HG22 ' A' ' 94' ' ' VAL . 72.8 t -45.93 -37.56 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -55.53 -32.07 62.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.08 -25.96 72.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.755 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -90.65 -27.91 18.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 109.278 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -50.24 64.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -69.91 -31.74 69.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 110.326 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.48 -34.3 76.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.9 HG11 ' CG ' ' A' ' 100' ' ' LYS . 3.4 t -70.45 -67.11 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -43.72 -27.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 46' ' ' VAL . 44.5 t -120.83 45.18 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.023 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.6 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 23.0 t80 -102.33 171.69 7.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.6 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 2.6 mt-10 -156.5 138.78 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.35 -154.65 18.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.841 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 2.4 mmmm -130.69 -156.21 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.751 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.626 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 8.5 mttp -88.17 12.47 13.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.5 p -114.11 -48.13 2.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.386 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -41.54 131.08 3.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.298 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -38.91 19.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 10.6 ttpt -45.03 -59.0 2.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.626 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 59.4 t80 -47.97 -46.97 33.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 59' ' ' LEU . 6.2 mp -59.63 -52.11 66.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.0 mtp -45.55 -65.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.486 HG22 ' CD1' ' A' ' 65' ' ' LEU . 38.2 mt -48.67 -53.9 5.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' GLU . 0.6 OUTLIER -41.5 -67.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -37.93 -63.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.71 ' CB ' HD11 ' A' ' 42' ' ' LEU . 36.5 m-85 -47.43 -62.93 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.486 ' CD1' HG22 ' A' ' 61' ' ' ILE . 53.9 mt -37.25 -58.13 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.809 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.6 m -61.08 -48.83 79.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -41.81 -49.8 4.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -61.6 -39.99 93.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.899 HD21 ' HB ' ' A' ' 94' ' ' VAL . 43.6 mt -56.78 -51.11 70.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.52 -34.93 62.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.735 ' HB3' HG21 ' A' ' 35' ' ' ILE . . . -71.93 -24.33 61.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 69' ' ' LEU . 14.3 mt -80.84 -28.06 36.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.23 -37.66 57.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -55.67 -19.1 9.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.148 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.0 t -80.89 123.0 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -112.75 106.62 55.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.403 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 18.5 Cg_endo -74.93 -35.64 3.09 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.516 1.798 . . . . 0.0 111.051 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 12.7 mt-10 79.12 -59.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.224 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 173.3 38.54 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.549 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 1.6 mmp_? -86.8 -18.75 30.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . 74.26 -64.29 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -49.49 -44.52 46.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 28' ' ' GLY . 26.4 t -74.56 -34.71 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -62.77 -39.96 95.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -61.64 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.535 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -43.59 -44.8 6.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -60.56 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -54.32 -27.83 38.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -83.42 -33.71 25.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.585 ' HA2' HD11 ' A' ' 36' ' ' LEU . . . -72.28 -50.47 16.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 19.0 m -61.94 -43.94 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 109.249 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -60.68 -39.89 90.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -51.97 -57.38 9.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.899 ' HB ' HD21 ' A' ' 69' ' ' LEU . 12.1 t -58.91 -56.11 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 94' ' ' VAL . 38.2 mt-30 -37.34 -60.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.4 m -50.98 -49.08 60.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 52.1 mt -59.54 -44.78 93.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.511 HD12 HD11 ' A' ' 69' ' ' LEU . 4.5 mt -56.41 -30.4 62.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.64 -26.84 25.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.311 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.9 ' CG ' HG11 ' A' ' 46' ' ' VAL . 3.8 ptmt -73.8 -36.02 64.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.816 HD13 HG22 ' A' ' 46' ' ' VAL . 47.6 tp -60.02 -54.9 40.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -38.65 -53.67 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.47 -42.87 83.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.442 ' HG3' HG13 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -60.81 -33.14 72.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.841 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -102.0 36.35 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.481 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.7 t-80 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.759 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.06 -36.26 2.62 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.481 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -53.46 -38.8 58.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.973 HG13 ' HB2' ' A' ' 86' ' ' ALA . 55.5 t -72.07 -58.21 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.6 mt -42.12 -33.39 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -37.42 -43.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.769 HG12 HH22 ' A' ' 87' ' ' ARG . 0.9 OUTLIER -78.24 -45.31 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.7 mt-10 -54.81 -35.3 63.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -36.11 74.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.501 HD13 ' O ' ' A' ' 71' ' ' ALA . 9.6 mt -82.97 -50.09 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.678 HD22 ' HG2' ' A' ' 93' ' ' LYS . 11.5 mt -41.04 -50.49 3.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -41.0 -40.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' ILE . 20.4 mttm -74.52 -43.3 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.621 HG11 HG22 ' A' ' 94' ' ' VAL . 73.7 t -48.9 -49.64 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -41.25 -44.88 2.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.259 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.73 -40.56 98.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 64' ' ' TYR . 82.4 mt -70.76 -23.66 62.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.479 ' HG2' ' CG2' ' A' ' 97' ' ' ILE . 1.0 OUTLIER -73.49 -54.35 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.357 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -45.23 -41.65 8.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.71 85.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.842 HG22 HD13 ' A' ' 101' ' ' LEU . 14.2 t -65.73 -65.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -48.16 -24.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -118.92 36.56 4.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.946 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.57 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 61.0 t80 -98.61 172.34 7.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.57 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 4.1 mt-10 -167.01 128.15 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 105' ' ' ALA . . . 139.56 -148.39 19.98 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.821 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 2.2 mmtm -121.53 -157.54 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 3.3 mttt -103.69 27.72 7.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ASP . 56.5 p -122.5 -44.02 2.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.388 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 52' ' ' LYS . 1.3 m-20 -40.49 134.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -32.52 31.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -58.5 -50.68 72.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 91.0 t80 -51.88 -47.65 64.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 59' ' ' LEU . 7.0 mp -57.42 -53.34 59.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -42.52 -56.59 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.632 HG22 HD22 ' A' ' 101' ' ' LEU . 46.9 mt -58.99 -41.35 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -53.46 -60.38 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 2.3 pt-20 -61.19 -43.76 98.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.614 ' HB3' HD22 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -55.68 -40.57 72.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.3 mt -64.26 -48.27 76.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' LEU . 3.8 m -59.98 -45.91 91.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 66' ' ' THR . 25.2 mttp -40.07 -40.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.475 ' HG3' HG22 ' A' ' 39' ' ' VAL . 19.9 mm-40 -72.23 -44.81 62.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' THR . 52.6 mt -44.9 -54.76 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.2 mt -54.37 -41.36 69.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.501 ' O ' HD13 ' A' ' 35' ' ' ILE . . . -69.54 -19.66 63.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.452 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 22.9 mt -99.18 5.16 46.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.425 ' C ' ' N ' ' A' ' 75' ' ' VAL . 14.1 t0 -122.52 -38.87 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -13.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.042 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.717 ' HB ' ' CZ ' ' A' ' 87' ' ' ARG . 54.6 t -82.76 128.34 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -120.79 108.57 36.86 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.529 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 18.0 Cg_endo -75.02 -58.82 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.472 1.775 . . . . 0.0 110.945 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 77' ' ' PRO . 0.5 OUTLIER 33.98 89.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 134.45 -61.12 0.64 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -93.59 138.69 31.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.61 -52.46 5.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.05 -38.44 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.529 ' CG1' ' HB3' ' A' ' 77' ' ' PRO . 40.1 t -66.99 -57.79 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.496 ' HG2' ' CG ' ' A' ' 77' ' ' PRO . 4.3 mtt180 -45.25 -49.64 12.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.18 -63.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.973 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -42.01 -51.82 4.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.769 HH22 HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -40.3 -69.82 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -20.96 4.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -79.31 -72.73 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.468 ' HA2' HD11 ' A' ' 36' ' ' LEU . . . -37.42 -62.86 0.88 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.562 HG23 ' N ' ' A' ' 92' ' ' ARG . 17.8 m -47.48 -54.27 3.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.562 ' N ' HG23 ' A' ' 91' ' ' VAL . 0.5 OUTLIER -47.02 -55.65 7.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.678 ' HG2' HD22 ' A' ' 36' ' ' LEU . 23.5 tptt -43.94 -58.82 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.621 HG22 HG11 ' A' ' 39' ' ' VAL . 95.0 t -55.6 -56.66 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 94' ' ' VAL . 68.9 mt-30 -37.47 -60.82 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.7 m -48.39 -47.8 37.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.373 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.479 ' CG2' ' HG2' ' A' ' 43' ' ' GLU . 46.6 mt -61.79 -35.36 67.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.424 ' CD1' HD11 ' A' ' 69' ' ' LEU . 6.0 mt -66.91 -31.74 72.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -86.4 -25.51 25.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.836 ' CG ' HG11 ' A' ' 46' ' ' VAL . 2.7 ptmt -74.82 -37.68 62.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.842 HD13 HG22 ' A' ' 46' ' ' VAL . 52.2 tp -59.01 -57.56 12.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.97 -52.8 8.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -57.76 -50.22 73.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 1.1 mmpt? -41.36 -63.99 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.821 ' HB1' ' HA ' ' A' ' 52' ' ' LYS . . . -38.48 -62.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 105' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.415 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 61.8 t-80 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.758 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.4 Cg_endo -74.99 -36.06 2.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.77 . . . . 0.0 110.987 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.415 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -55.62 -32.75 58.62 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.009 HG13 ' HB2' ' A' ' 86' ' ' ALA . 62.6 t -77.45 -56.83 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.773 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.9 mt -43.35 -35.92 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -48.78 -37.42 19.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.973 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.9 OUTLIER -76.73 -48.97 24.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.481 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 2.4 mm-40 -52.46 -47.35 66.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.51 -30.15 68.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.737 HG23 ' OE1' ' A' ' 68' ' ' GLU . 89.7 mt -80.77 -53.4 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.896 HD21 HD21 ' A' ' 72' ' ' LEU . 3.9 mm? -63.24 -16.45 60.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.4 tt0 -60.56 -35.13 75.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 39' ' ' VAL . 0.5 OUTLIER -73.84 -64.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.92 ' HA ' HD12 ' A' ' 42' ' ' LEU . 3.0 p -37.06 -49.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -41.55 -57.12 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.7 -34.44 56.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.92 HD12 ' HA ' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -81.56 -19.15 42.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.302 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.798 ' HB2' HD13 ' A' ' 97' ' ' ILE . 25.7 tt0 -79.94 -30.8 39.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -70.22 -31.72 69.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -71.02 -28.19 64.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.812 HG11 ' CG ' ' A' ' 100' ' ' LYS . 3.4 t -63.14 -53.61 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -57.96 -19.51 30.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.35 31.13 5.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.557 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 1.4 t80 -104.17 167.33 9.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.557 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 8.5 mt-10 -157.14 137.85 13.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 146.36 -146.33 16.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.848 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -140.72 -169.53 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.754 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.631 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 3.7 mttp -82.68 6.87 16.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.8 -35.97 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.54 126.31 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.4 tptt -54.48 -25.4 25.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -64.48 -47.63 78.26 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.944 ' CE1' HD13 ' A' ' 101' ' ' LEU . 62.1 t80 -55.52 -47.81 75.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 59' ' ' LEU . 7.5 mp -51.83 -50.84 60.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.546 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 9.9 mtp -47.09 -51.4 17.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.7 mt -67.13 -49.37 73.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -44.2 -65.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.268 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 5.3 pt-20 -55.85 -45.51 78.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.77 ' HB3' HD13 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -51.82 -36.71 48.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.608 HD23 HG23 ' A' ' 39' ' ' VAL . 15.8 mt -70.45 -73.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 69' ' ' LEU . 1.5 m -38.28 -35.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.44 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER -39.06 -46.53 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.737 ' OE1' HG23 ' A' ' 35' ' ' ILE . 15.3 mm-40 -66.88 -41.52 87.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.579 HD12 ' CG1' ' A' ' 94' ' ' VAL . 0.0 OUTLIER -46.15 -54.09 9.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.425 ' N ' HD22 ' A' ' 70' ' ' LEU . 1.8 mm? -58.68 -38.47 78.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.56 ' O ' HD13 ' A' ' 35' ' ' ILE . . . -70.02 -16.5 63.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.896 HD21 HD21 ' A' ' 36' ' ' LEU . 12.1 mt -88.24 -22.83 23.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -86.78 -40.67 14.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.57 -28.89 49.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.055 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.4 t -75.66 114.16 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -104.15 112.69 65.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 79' ' ' GLY . 18.4 Cg_endo -74.95 -22.99 14.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.534 1.807 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 68.58 -60.47 0.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 77' ' ' PRO . . . -171.27 35.43 0.16 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.907 ' NH1' HG21 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -111.62 122.07 46.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 82' ' ' ASP . . . -67.79 -56.13 10.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 81' ' ' ALA . 13.9 m-20 -38.16 -47.46 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.907 HG21 ' NH1' ' A' ' 80' ' ' ARG . 8.4 t -71.52 -60.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -41.78 -34.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.451 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -64.43 -71.75 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 1.009 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -41.91 -55.71 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -50.7 26.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -58.51 -47.51 83.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -61.68 -51.1 69.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.32 -50.28 56.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.7 t -55.66 -39.64 56.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -73.16 -29.79 63.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.616 ' HG2' HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -64.79 -65.95 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.579 ' CG1' HD12 ' A' ' 69' ' ' LEU . 11.9 t -47.9 -61.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.484 ' HG2' HD11 ' A' ' 69' ' ' LEU . 7.4 mm-40 -38.41 -59.32 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.8 m -44.81 -55.0 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.798 HD13 ' HB2' ' A' ' 43' ' ' GLU . 45.2 mt -50.92 -52.61 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 65' ' ' LEU . 2.4 mm? -47.87 -39.78 19.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.62 -28.66 61.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.812 ' CG ' HG11 ' A' ' 46' ' ' VAL . 1.2 ptmt -78.88 -38.98 36.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.944 HD13 ' CE1' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -59.05 -61.93 2.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 105' ' ' ALA . 50.7 mt-10 -37.52 -70.16 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 102' ' ' GLU . 52.6 mm-40 -38.0 -52.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 3.7 mmpt? -48.89 -50.04 36.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.848 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -64.79 -38.06 89.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.8 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.48 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 62.9 t-80 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.7 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.4 Cg_endo -74.97 -35.87 2.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.48 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -54.17 -33.99 52.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.942 HG13 ' HB2' ' A' ' 86' ' ' ALA . 89.2 t -77.27 -55.51 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.7 HD12 ' HA ' ' A' ' 27' ' ' PRO . 5.1 mt -46.5 -35.15 5.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -45.21 -33.0 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -83.09 -47.86 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.469 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 4.7 mt-10 -48.63 -39.8 25.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.82 -31.94 71.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.448 ' O ' HG13 ' A' ' 39' ' ' VAL . 57.5 mt -79.77 -59.36 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.773 HD13 HG21 ' A' ' 39' ' ' VAL . 2.7 mm? -47.97 -28.09 2.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -12.66 44.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.3 mtpp -112.38 -8.35 13.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.773 HG21 HD13 ' A' ' 36' ' ' LEU . 1.3 m -89.81 -44.28 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.42 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 7.5 mm-40 -46.83 -38.92 11.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.69 -27.91 73.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.152 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 39' ' ' VAL . 70.2 mt -85.6 -21.57 28.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -77.95 -40.0 40.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.46 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 12.8 pt20 -58.25 -41.97 85.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -62.41 -38.8 91.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.793 HG22 ' HG ' ' A' ' 101' ' ' LEU . 11.9 t -59.74 -71.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' VAL . 1.1 t0 -40.57 -29.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.452 ' N ' ' C ' ' A' ' 46' ' ' VAL . 82.2 p -123.66 47.74 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.003 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.678 ' CE1' ' HB2' ' A' ' 105' ' ' ALA . 3.1 t80 -106.48 153.5 22.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.47 131.27 27.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.94 -135.83 5.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.96 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -152.64 -171.88 4.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 0.779 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.612 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 4.1 mtmp? -86.91 -7.2 58.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.6 p -103.95 -18.01 14.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 110.386 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -66.02 154.21 40.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.411 ' HA ' HD12 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -73.07 -47.97 39.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -44.3 -41.64 6.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.733 ' CE1' HD13 ' A' ' 101' ' ' LEU . 74.9 t80 -63.47 -44.25 94.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 56' ' ' LYS . 27.8 mt -59.33 -34.0 71.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.455 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.2 mtp -61.29 -53.0 62.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.577 ' HB ' HD11 ' A' ' 101' ' ' LEU . 32.1 mt -65.75 -39.97 86.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -57.87 -53.77 54.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 3.9 pt-20 -64.71 -43.79 92.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.461 ' N ' ' CG ' ' A' ' 63' ' ' GLU . 1.8 m-85 -59.12 -30.22 67.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.82 HD21 HG21 ' A' ' 97' ' ' ILE . 20.5 mt -73.08 -65.26 0.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.7 m -44.13 -46.2 8.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.415 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -41.3 -42.01 2.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 37.9 mm-40 -70.54 -43.26 69.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.641 ' HA ' HD12 ' A' ' 72' ' ' LEU . 24.6 mt -48.38 -57.71 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -53.14 -34.5 57.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 68' ' ' GLU . . . -69.44 -24.77 63.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.647 HD21 ' CD2' ' A' ' 36' ' ' LEU . 22.6 mt -80.2 -51.63 8.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.424 ' HA ' ' NH2' ' A' ' 87' ' ' ARG . 0.2 OUTLIER -63.62 -12.94 37.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.6 t -75.0 -2.03 25.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.3 t -96.93 130.71 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -109.04 100.98 42.89 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.463 ' HB3' HG12 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -74.97 -21.47 15.9 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.481 1.78 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.61 -62.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -174.89 33.76 0.1 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.445 1.09 . . . . 0.0 111.028 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -102.62 118.82 37.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.773 . . . . 0.0 110.269 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.61 -58.83 6.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.1 -56.03 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.463 HG12 ' HB3' ' A' ' 77' ' ' PRO . 21.7 t -62.14 -53.73 43.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.9 mtt-85 -42.74 -51.17 5.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.349 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -58.53 -56.56 20.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.942 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -42.99 -56.19 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.424 ' NH2' ' HA ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -52.2 -52.61 51.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -58.51 -46.25 87.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.56 -46.85 86.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.719 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -53.81 -64.11 4.53 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.442 ' N ' HD13 ' A' ' 72' ' ' LEU . 16.8 m -53.67 -45.8 60.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.408 ' N ' HG23 ' A' ' 91' ' ' VAL . 1.2 ttt85 -57.74 -56.58 20.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.608 ' HG2' HD12 ' A' ' 36' ' ' LEU . 5.1 tptt -51.18 -32.06 22.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 90' ' ' GLY . 81.0 t -78.9 -54.95 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -40.36 -54.87 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.492 ' O ' ' CG ' ' A' ' 100' ' ' LYS . 2.0 m -44.24 -38.76 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.82 HG21 HD21 ' A' ' 65' ' ' LEU . 34.6 mt -61.05 -51.57 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.638 HD21 ' HB3' ' A' ' 65' ' ' LEU . 4.0 mm? -53.82 -47.66 70.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -34.0 75.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.237 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.67 ' HB2' HG11 ' A' ' 46' ' ' VAL . 7.8 mmmt -67.71 -58.56 4.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.793 ' HG ' HG22 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -40.57 -51.19 2.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 105' ' ' ALA . 2.5 mt-10 -41.39 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -48.23 -36.59 14.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.459 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -63.6 -31.67 72.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.96 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -107.53 39.74 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.957 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.497 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 66.2 t-80 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.45 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.4 Cg_endo -74.95 -36.55 2.53 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.497 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -60.46 -29.54 69.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.604 HG13 ' CB ' ' A' ' 86' ' ' ALA . 91.5 t -82.66 -58.23 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 27' ' ' PRO . 5.4 mt -43.35 -35.72 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.25 -37.28 22.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 109.35 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.722 HG23 HD12 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -76.1 -43.67 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.35 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 37' ' ' GLU . 2.2 mt-10 -57.04 -41.28 78.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 37' ' ' GLU . . . -65.48 -40.39 93.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.57 HG22 ' HB3' ' A' ' 68' ' ' GLU . 24.4 mt -75.28 -25.11 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.759 HD11 ' HA3' ' A' ' 90' ' ' GLY . 31.1 mt -91.33 -10.99 39.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -68.43 -34.13 75.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -73.6 -58.22 3.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.836 ' HA ' HD12 ' A' ' 42' ' ' LEU . 2.8 p -41.83 -50.79 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.504 HE21 ' HB3' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -38.95 -48.51 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.94 -40.73 99.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.44 1.087 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -75.67 -21.13 57.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.278 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 39' ' ' VAL . 33.8 tt0 -74.24 -46.82 39.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -57.14 -29.94 64.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -69.85 -35.99 75.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.942 HG22 HD13 ' A' ' 101' ' ' LEU . 2.8 t -62.42 -67.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' VAL . 20.8 t0 -40.03 -30.25 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.44 ' N ' ' C ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -127.47 47.08 2.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.997 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.644 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 2.5 t80 -99.9 172.46 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.644 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 11.1 pt-20 -178.75 132.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.456 ' C ' ' HG2' ' A' ' 52' ' ' LYS . . . 152.78 -19.57 0.77 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.833 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 1.6 mmmt 85.39 -173.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.601 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 84.7 mttt -83.32 6.53 19.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.78 -26.82 12.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.422 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' HB2' ' C ' ' A' ' 51' ' ' GLY . 22.4 t0 -65.28 136.17 56.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -17.7 10.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -56.79 9.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.601 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 89.2 t80 -51.65 -46.6 63.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.9 mp -56.36 -50.6 71.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.43 -61.18 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.545 HG22 HD22 ' A' ' 101' ' ' LEU . 54.9 mt -45.25 -51.9 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -42.26 -72.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.342 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 4.9 pt-20 -54.22 -45.61 72.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.783 ' HB3' HD13 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -50.32 -33.55 20.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.682 HD23 HG23 ' A' ' 39' ' ' VAL . 9.9 mt -71.49 -47.66 54.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 69' ' ' LEU . 1.5 m -61.87 -38.49 88.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -35.21 -43.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.57 ' HB3' HG22 ' A' ' 35' ' ' ILE . 5.2 mm-40 -75.63 -46.16 33.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.959 HD21 ' HB ' ' A' ' 94' ' ' VAL . 60.6 mt -56.41 -48.67 76.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.847 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -61.3 -44.57 96.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.656 ' N ' HD12 ' A' ' 70' ' ' LEU . . . -72.94 -14.58 61.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.61 HD11 HD21 ' A' ' 36' ' ' LEU . 14.3 mt -84.44 -19.03 34.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -78.78 -22.39 46.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.51 -18.0 58.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.6 t -75.08 113.41 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -108.5 112.82 60.63 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -29.31 8.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.809 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 68.33 12.52 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.48 -29.84 4.4 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -45.41 118.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.51 -54.22 15.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.89 -33.61 7.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.431 HG22 HG23 ' A' ' 29' ' ' VAL . 55.9 t -85.95 -52.3 12.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -49.36 -38.13 27.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' A' ' 87' ' ' ARG . 1.3 tt0 -73.31 -61.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.604 ' CB ' HG13 ' A' ' 29' ' ' VAL . . . -39.91 -31.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.828 ' O ' HG22 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -73.5 -60.72 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -60.16 -33.84 72.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.19 -41.32 61.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.759 ' HA3' HD11 ' A' ' 36' ' ' LEU . . . -68.77 -61.21 4.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.446 1.092 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.828 HG22 ' O ' ' A' ' 87' ' ' ARG . 27.3 m -47.48 -38.81 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 93' ' ' LYS . 1.0 OUTLIER -57.66 -58.2 9.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.452 ' CG ' ' N ' ' A' ' 94' ' ' VAL . 0.0 OUTLIER -39.71 -51.19 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.234 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.959 ' HB ' HD21 ' A' ' 69' ' ' LEU . 3.6 t -64.31 -54.25 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 94' ' ' VAL . 48.6 mt-30 -36.97 -62.48 0.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 100' ' ' LYS . 2.8 m -53.98 -57.22 11.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 43.1 mt -48.81 -41.52 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.458 HD12 HD11 ' A' ' 69' ' ' LEU . 1.9 mt -59.79 -50.44 73.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -69.03 -23.57 64.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.518 ' HD3' HG12 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -72.88 -44.24 61.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.942 HD13 HG22 ' A' ' 46' ' ' VAL . 54.9 tp -44.92 -56.39 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 105' ' ' ALA . 31.5 mt-10 -38.13 -66.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -44.74 -36.95 3.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 101' ' ' LEU . 2.8 mmpt? -67.81 -37.87 82.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.833 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -93.46 29.73 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.977 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.501 ' CG ' ' HD2' ' A' ' 27' ' ' PRO . 59.0 t-80 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.501 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.07 -34.97 3.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.81 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.476 ' H ' ' CE1' ' A' ' 26' ' ' HIS . . . -51.18 -25.57 11.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.675 HG13 ' HB2' ' A' ' 86' ' ' ALA . 12.4 t -88.73 -47.19 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.753 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.631 HD23 ' N ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -61.73 -29.77 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.79 -33.8 37.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -82.57 -39.68 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.13 -45.63 75.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.28 93.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.723 HG23 ' OE1' ' A' ' 68' ' ' GLU . 67.6 mt -71.41 -41.7 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.714 HD21 HD11 ' A' ' 72' ' ' LEU . 77.0 mt -73.64 -14.0 61.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -34.27 77.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -74.2 -62.36 1.54 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.918 ' HA ' HD12 ' A' ' 42' ' ' LEU . 2.8 p -38.23 -47.34 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -41.85 -53.44 3.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.274 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.98 -29.77 75.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.918 HD12 ' HA ' ' A' ' 39' ' ' VAL . 3.1 mt -80.88 -20.2 42.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.496 ' OE2' ' CE ' ' A' ' 100' ' ' LYS . 4.6 tm-20 -69.8 -51.31 34.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -52.29 -33.42 42.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.38 -36.79 85.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.594 HG22 ' HB2' ' A' ' 101' ' ' LEU . 3.6 t -67.39 -66.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -43.17 -27.87 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -123.99 45.02 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.617 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 14.5 t80 -98.9 171.45 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.617 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 19.4 mt-10 -154.75 136.09 14.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 105' ' ' ALA . . . 135.61 -152.03 20.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.831 ' CA ' ' HB1' ' A' ' 105' ' ' ALA . 5.9 mmmt -132.02 -155.38 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.791 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.628 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 4.7 mtmp? -95.1 16.36 16.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' ASP . 58.9 p -122.06 -42.05 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' THR . 49.5 t0 -39.36 136.36 0.92 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -55.87 -27.94 54.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -62.69 -52.88 61.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.628 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 67.6 t80 -47.36 -45.78 25.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 59' ' ' LEU . 6.2 mp -66.22 -54.44 25.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.605 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 2.3 ttp -43.2 -40.5 3.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.491 HG22 ' CD2' ' A' ' 65' ' ' LEU . 33.1 mt -77.75 -53.13 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.439 ' CD ' ' C ' ' A' ' 62' ' ' GLU . 8.4 tm-20 -36.86 -46.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 3.6 pt-20 -70.3 -46.54 64.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.692 ' HB3' HD22 ' A' ' 42' ' ' LEU . 13.7 m-30 -50.81 -44.92 59.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.564 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -65.97 -77.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.633 ' OG1' HD11 ' A' ' 98' ' ' LEU . 1.2 m -35.74 -40.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.399 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -35.23 -50.69 0.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.723 ' OE1' HG23 ' A' ' 35' ' ' ILE . 7.0 mm-40 -69.43 -45.97 67.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.718 HD12 ' HB ' ' A' ' 94' ' ' VAL . 0.3 OUTLIER -42.45 -48.26 5.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.571 HD23 HG22 ' A' ' 66' ' ' THR . 3.8 mm? -67.49 -50.48 58.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.681 ' HB3' HG21 ' A' ' 35' ' ' ILE . . . -57.42 -18.9 20.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.714 HD11 HD21 ' A' ' 36' ' ' LEU . 56.3 mt -81.79 -25.47 35.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -87.54 -31.08 20.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.9 t -60.09 -17.92 43.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.429 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 77.9 t -80.82 128.13 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -109.01 103.38 52.04 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.03 -24.95 12.28 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 77.25 -64.12 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -171.69 32.17 0.13 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -99.53 123.63 43.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 0.801 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.92 -59.75 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -41.9 -36.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.428 ' CG1' ' HB3' ' A' ' 77' ' ' PRO . 39.8 t -82.19 -58.07 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -40.14 -37.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -67.3 -63.89 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.675 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -40.14 -56.21 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.429 ' NE ' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -49.09 -63.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.33 -57.27 4.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.06 -48.26 67.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.658 ' C ' HD13 ' A' ' 72' ' ' LEU . . . -56.18 -51.65 54.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.537 ' N ' HD13 ' A' ' 72' ' ' LEU . 25.2 t -58.53 -47.3 88.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -63.78 -34.3 77.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.28 -66.96 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.718 ' HB ' HD12 ' A' ' 69' ' ' LEU . 63.6 t -46.75 -55.06 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.355 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.488 ' CG ' HD11 ' A' ' 69' ' ' LEU . 15.2 mt-30 -38.9 -54.51 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.4 m -57.33 -42.13 81.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 94' ' ' VAL . 28.3 mt -66.25 -38.8 82.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.633 HD11 ' OG1' ' A' ' 66' ' ' THR . 8.5 mt -68.24 -36.96 80.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.82 -26.15 54.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.496 ' CE ' ' OE2' ' A' ' 43' ' ' GLU . 22.5 ttpt -70.86 -57.0 5.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.594 ' HB2' HG22 ' A' ' 46' ' ' VAL . 27.7 tp -41.35 -49.13 3.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -41.86 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -52.93 -33.92 52.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -61.6 -30.16 70.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.831 ' HB1' ' CA ' ' A' ' 52' ' ' LYS . . . -92.26 -42.26 9.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.499 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.0 t-80 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.674 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.01 -35.71 2.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.452 1.764 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.499 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -58.08 -34.56 73.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.665 HG13 ' HB2' ' A' ' 86' ' ' ALA . 48.6 t -76.88 -55.89 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 0.731 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 27' ' ' PRO . 5.2 mt -44.35 -35.43 2.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.467 ' HG2' HG12 ' A' ' 75' ' ' VAL . 3.9 tttt -41.08 -33.6 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.983 HG21 ' HB1' ' A' ' 86' ' ' ALA . 1.0 OUTLIER -88.13 -44.17 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.416 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 1.7 mt-10 -51.51 -35.87 42.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.75 -32.94 74.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 1.018 HG23 ' OE1' ' A' ' 68' ' ' GLU . 8.2 mt -82.5 -57.08 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.759 HD12 ' HG2' ' A' ' 93' ' ' LYS . 4.0 mm? -44.76 -36.9 3.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.46 -46.01 73.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -71.73 -45.96 60.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.82 HG21 HG22 ' A' ' 94' ' ' VAL . 72.0 t -44.36 -60.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -38.79 -45.98 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.29 -43.95 89.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.889 ' O ' HG13 ' A' ' 46' ' ' VAL . 30.9 mt -64.6 -53.32 49.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 0.74 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.478 ' O ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -55.71 -30.26 60.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -67.15 -28.94 68.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.12 -34.2 20.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.889 HG13 ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -72.99 -49.0 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.486 ' N ' ' CG2' ' A' ' 46' ' ' VAL . 6.5 t70 -50.38 -24.67 3.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.5 t -133.83 41.51 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.674 ' CD1' ' N ' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -94.68 168.62 10.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.956 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.674 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 2.1 mt-10 -149.17 133.9 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.253 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 138.77 -157.92 24.9 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.143 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.827 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.1 OUTLIER -133.5 -154.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.289 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.58 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 43.9 mttt -91.82 16.53 10.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.0 p -114.02 -42.96 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.353 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.45 121.76 6.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -44.55 36.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.65 -61.81 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.58 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 39.4 t80 -44.7 -49.86 10.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.433 ' N ' HD12 ' A' ' 59' ' ' LEU . 7.4 mp -52.91 -51.0 62.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.564 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.4 ttp -46.2 -45.94 17.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.762 HG22 HD13 ' A' ' 65' ' ' LEU . 38.5 mt -62.69 -66.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 61' ' ' ILE . 5.0 tm-20 -34.24 -62.95 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.55 -61.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.564 ' CD2' ' O ' ' A' ' 60' ' ' MET . 19.3 m-85 -51.62 -49.49 62.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.762 HD13 HG22 ' A' ' 61' ' ' ILE . 10.3 mp -47.64 -73.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' LEU . 3.1 m -50.73 -47.14 59.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.367 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -43.63 -38.74 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 1.018 ' OE1' HG23 ' A' ' 35' ' ' ILE . 67.4 mm-40 -72.72 -39.44 66.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.714 HD12 ' CG1' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -53.13 -52.28 59.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.413 ' N ' HD22 ' A' ' 70' ' ' LEU . 2.3 mm? -57.83 -28.9 64.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.58 -16.28 54.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.841 HD11 HG21 ' A' ' 94' ' ' VAL . 34.2 mt -83.69 -27.81 28.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -97.38 -17.09 19.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.2 t -64.31 -37.04 86.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.027 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.565 ' CG2' ' HD2' ' A' ' 87' ' ' ARG . 11.7 m -62.87 146.09 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -110.96 117.8 49.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.743 ' HA ' HG11 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -74.97 -25.83 11.54 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 65.84 10.11 6.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.239 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 109.79 -26.65 13.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -53.28 110.91 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.769 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 82' ' ' ASP . . . -54.4 -54.1 45.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 81' ' ' ALA . 3.8 m-20 -40.16 -50.32 2.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.743 HG11 ' HA ' ' A' ' 77' ' ' PRO . 61.6 t -61.92 -60.48 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.469 ' HG2' ' CG ' ' A' ' 77' ' ' PRO . 6.0 mtm105 -46.74 -46.54 20.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.361 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -43.52 -63.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.983 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -59.57 -50.5 73.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.565 ' HD2' ' CG2' ' A' ' 75' ' ' VAL . 0.5 OUTLIER -53.85 -21.1 6.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -96.8 -58.04 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.32 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -53.53 -47.96 69.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.403 ' HA3' HD21 ' A' ' 36' ' ' LEU . . . -54.66 -45.25 78.79 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.541 ' HA ' HD13 ' A' ' 72' ' ' LEU . 7.5 t -57.1 -42.88 80.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 0.771 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -66.73 -33.27 75.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.759 ' HG2' HD12 ' A' ' 36' ' ' LEU . 1.4 tptt -65.92 -51.45 58.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.841 HG21 HD11 ' A' ' 72' ' ' LEU . 86.9 t -61.61 -53.45 48.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -42.78 -59.01 2.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.127 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.4 m -41.42 -47.68 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.589 HD12 ' CG1' ' A' ' 39' ' ' VAL . 68.9 mt -58.07 -52.41 58.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.411 ' HG ' HD23 ' A' ' 65' ' ' LEU . 10.4 mt -48.25 -27.17 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -87.48 -27.79 22.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 97' ' ' ILE . 10.0 ptmt -78.05 -47.16 19.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.605 HD22 ' C ' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -64.13 -62.04 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.425 ' HA ' ' OH ' ' A' ' 58' ' ' TYR . 21.3 mt-10 -37.29 -41.11 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -71.44 -45.2 63.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.525 ' CE ' ' O ' ' A' ' 46' ' ' VAL . 5.4 mmmt -41.23 -48.41 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.827 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -65.2 -50.89 64.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.49 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 55.3 t-80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.851 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.2 Cg_endo -75.03 -38.75 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.777 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.527 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -56.37 -25.42 48.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.738 HG13 ' CB ' ' A' ' 86' ' ' ALA . 42.8 t -85.94 -54.65 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 0.736 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.2 mt -44.11 -35.48 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -50.83 -36.1 35.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.088 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.7 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -86.29 -46.97 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.46 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 1.7 mt-10 -55.08 -34.26 63.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.79 78.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.7 mt -81.05 -46.41 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.689 HD21 ' HA2' ' A' ' 90' ' ' GLY . 6.6 mt -48.18 -49.81 31.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.42 -36.84 10.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -75.31 -44.74 43.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.822 HG21 HG22 ' A' ' 94' ' ' VAL . 76.8 t -44.63 -61.59 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 39' ' ' VAL . 8.8 mm100 -37.53 -49.52 1.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.91 -45.6 55.84 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.428 1.08 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.674 ' O ' HG13 ' A' ' 46' ' ' VAL . 16.5 mt -62.87 -55.86 22.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.545 ' O ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -55.06 -32.96 62.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.443 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 21.1 mt-30 -63.41 -27.98 69.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -83.37 -40.57 19.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.977 HG12 HG21 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -65.78 -51.54 60.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.53 ' N ' ' CG2' ' A' ' 46' ' ' VAL . 2.9 t70 -56.97 -22.95 42.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.2 t -125.24 32.67 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.964 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.582 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 5.8 t80 -98.72 168.54 10.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.582 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 1.3 tt0 -150.63 127.2 10.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.63 -154.9 25.84 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.669 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -132.48 -164.46 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.737 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.623 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 14.6 mttt -81.54 3.69 24.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.94 -26.92 10.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 58' ' ' TYR . 52.4 t0 -51.79 128.07 22.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.06 -33.45 65.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -59.64 -54.25 48.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.623 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 40.9 t80 -46.01 -50.34 15.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 mp -53.6 -52.56 59.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.553 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 7.0 mtp -48.19 -48.43 34.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.977 HG21 HG12 ' A' ' 46' ' ' VAL . 39.9 mt -66.13 -45.41 90.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.4 1.063 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.555 ' HA ' HD12 ' A' ' 65' ' ' LEU . 9.5 tm-20 -54.05 -55.58 26.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -60.74 -37.14 80.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.587 ' HB3' HD22 ' A' ' 42' ' ' LEU . 1.4 m-85 -61.9 -59.87 4.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.727 HD13 ' HA ' ' A' ' 98' ' ' LEU . 5.6 mt -38.43 -40.75 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 69' ' ' LEU . 50.5 m -64.19 -50.63 67.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.428 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.754 ' HA ' HD12 ' A' ' 70' ' ' LEU . 4.9 mttt -38.43 -38.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.598 ' CD ' HD11 ' A' ' 42' ' ' LEU . 22.2 mp0 -83.11 -39.8 20.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.699 HD12 ' CG1' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -63.4 -45.67 89.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.92 HD22 ' C ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -73.2 -33.62 65.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.837 ' N ' HD13 ' A' ' 70' ' ' LEU . . . -71.53 -6.77 43.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.0 mt -95.54 -20.7 18.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -81.49 -26.62 35.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 t -67.51 -13.64 62.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.424 HG12 ' HD2' ' A' ' 87' ' ' ARG . 53.6 t -80.51 130.25 36.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -119.81 113.03 34.75 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.413 ' O ' ' CD ' ' A' ' 80' ' ' ARG . 18.3 Cg_endo -74.98 -35.85 2.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 71.35 8.87 6.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 108.85 59.28 0.53 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.413 ' CD ' ' O ' ' A' ' 77' ' ' PRO . 2.0 mtt180 -140.41 104.17 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 85' ' ' GLN . . . -45.44 -55.7 5.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.67 -61.78 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 28' ' ' GLY . 42.4 t -60.01 -56.82 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 87' ' ' ARG . 28.4 mtt-85 -43.72 -69.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' ARG . 0.9 OUTLIER -38.62 -58.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.738 ' CB ' HG13 ' A' ' 29' ' ' VAL . . . -55.56 -41.99 74.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -58.56 -33.1 69.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.66 -52.99 5.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -42.3 -57.77 2.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.689 ' HA2' HD21 ' A' ' 36' ' ' LEU . . . -54.82 -57.27 18.7 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.426 ' O ' ' CG ' ' A' ' 95' ' ' GLN . 35.3 t -51.39 -41.13 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -31.81 71.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.88 -55.8 6.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.822 HG22 HG21 ' A' ' 39' ' ' VAL . 10.8 t -55.14 -43.84 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.657 ' HG2' HD11 ' A' ' 69' ' ' LEU . 4.9 mm-40 -52.93 -56.79 13.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.6 m -52.44 -48.69 65.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.586 HD12 ' CG1' ' A' ' 39' ' ' VAL . 71.8 mt -55.0 -51.5 53.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.727 ' HA ' HD13 ' A' ' 65' ' ' LEU . 1.2 mt -47.15 -40.0 14.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.34 -25.87 58.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 97' ' ' ILE . 28.1 ttpt -70.57 -66.75 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.622 HD22 HG22 ' A' ' 61' ' ' ILE . 14.2 tp -37.37 -47.45 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.9 -66.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -56.14 -32.8 64.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.448 ' HD3' ' O ' ' A' ' 46' ' ' VAL . 1.5 mmpt? -61.53 -34.97 76.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.669 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -94.67 44.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.17 97.95 3.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.016 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.64 168.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.36 99.68 0.13 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.82 116.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 p -169.45 160.59 9.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.038 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.72 -169.55 42.29 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.53 81.33 0.27 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.565 0.803 . . . . 0.0 109.252 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 93.42 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.465 1.771 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.48 84.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -143.39 119.18 6.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.319 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 166.48 29.12 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.78 112.67 1.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.0 68.89 4.99 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.24 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 130.86 13.61 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.504 1.792 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -174.39 164.06 3.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 m -103.65 78.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.64 92.87 0.5 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -39.05 154.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 63.56 172.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 68.32 176.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.581 HG23 ' HD2' ' A' ' 23' ' ' PRO . 13.0 m -46.45 143.26 4.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.438 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.581 ' HD2' HG23 ' A' ' 22' ' ' THR . 18.1 Cg_endo -75.04 166.29 29.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 172.03 17.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.789 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 1.9 mmpt? -79.57 158.09 27.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.48 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.6 t-80 -82.64 139.78 44.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.582 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.3 Cg_endo -75.03 -36.63 2.42 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.463 1.77 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.48 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -60.1 -26.72 63.9 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 32' ' ' VAL . 93.6 t -86.81 -58.47 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -43.35 -35.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.453 ' O ' HD12 ' A' ' 35' ' ' ILE . 6.9 mttt -53.85 -42.25 68.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.836 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -79.33 -46.31 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 68.6 mt-10 -54.6 -32.3 58.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.84 -43.73 87.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 31' ' ' LYS . 6.8 mt -69.93 -56.21 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.788 HD22 ' HD3' ' A' ' 93' ' ' LYS . 7.8 mt -43.09 -50.6 6.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.74 -39.39 3.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 35' ' ' ILE . 4.6 mttp -74.31 -48.04 30.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.534 HG11 HG22 ' A' ' 94' ' ' VAL . 95.3 t -42.02 -53.06 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -39.22 -41.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.87 -45.24 93.12 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.116 . . . . 0.0 111.053 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' ' 64' ' ' TYR . 82.1 mt -65.06 -26.85 68.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.74 -51.55 18.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -47.11 -35.34 6.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.272 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -66.62 -46.47 75.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.835 HG22 ' HG ' ' A' ' 101' ' ' LEU . 24.2 t -58.9 -61.96 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -46.66 -27.16 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.67 40.51 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.583 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 45.3 t80 -104.29 171.63 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.583 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 20.7 tt0 -170.14 132.11 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 153.9 -128.19 2.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.908 ' CA ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -149.12 -171.8 3.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.614 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 8.5 mttt -86.69 -11.6 50.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.1 p -97.7 -40.45 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.411 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -40.11 147.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.656 ' HA ' HD12 ' A' ' 59' ' ' LEU . 2.6 tmtt? -66.65 -49.12 67.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.13 -45.18 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 1.003 ' CE1' HD13 ' A' ' 101' ' ' LEU . 75.9 t80 -63.9 -42.34 97.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 56' ' ' LYS . 49.7 mt -56.06 -41.45 75.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.593 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 37.0 mtp -58.37 -52.51 65.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 111.045 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.3 mt -67.79 -42.85 86.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -54.01 -55.65 25.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 4.1 pt-20 -63.61 -43.91 95.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 60' ' ' MET . 1.8 m-85 -56.9 -42.14 79.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.501 HD13 ' HG ' ' A' ' 98' ' ' LEU . 53.9 mt -59.75 -57.38 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.9 m -55.6 -45.22 77.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -41.01 -42.6 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.367 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -70.73 -42.08 71.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.281 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.744 HD21 ' HB ' ' A' ' 94' ' ' VAL . 19.2 mt -49.66 -59.91 3.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 mt -50.11 -37.03 32.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.27 -28.21 63.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.456 HD12 HD23 ' A' ' 69' ' ' LEU . 68.9 mt -77.18 -34.93 56.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.72 -39.19 37.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.0 t -47.48 -24.4 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.954 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.451 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 76.3 t -70.6 130.37 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -108.4 103.77 51.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 79' ' ' GLY . 18.3 Cg_endo -75.04 -28.29 9.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.81 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 69.0 -59.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' PRO . . . -177.73 40.16 0.09 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.473 1.108 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.07 115.45 25.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.31 -54.71 43.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.9 -36.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.3 t -84.18 -56.85 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -46.3 -56.37 5.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.556 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 4.5 pt20 -49.5 -49.27 46.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.836 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -59.94 -46.62 88.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.451 ' NE ' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -58.16 -61.5 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -27.56 29.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -76.42 -59.98 2.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.67 ' HA2' HD21 ' A' ' 36' ' ' LEU . . . -51.88 -45.36 55.82 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.7 t -64.16 -48.94 83.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -59.73 -33.94 72.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.788 ' HD3' HD22 ' A' ' 36' ' ' LEU . 2.0 tttt -64.06 -68.32 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.744 ' HB ' HD21 ' A' ' 69' ' ' LEU . 47.2 t -42.8 -52.39 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -44.49 -55.11 5.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 21.3 m -53.08 -34.54 57.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 94' ' ' VAL . 31.2 mt -68.91 -42.16 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.501 ' HG ' HD13 ' A' ' 65' ' ' LEU . 5.7 mt -62.95 -48.08 80.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.89 -28.88 69.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -79.11 -46.0 18.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.003 HD13 ' CE1' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -49.12 -68.67 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 103' ' ' GLN . 8.4 pt-20 -39.31 -40.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 102' ' ' GLU . 4.2 mm-40 -70.42 -47.72 59.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.48 ' HG3' HG13 ' A' ' 46' ' ' VAL . 2.8 mmpt? -54.26 -34.87 61.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.908 ' HB1' ' CA ' ' A' ' 52' ' ' LYS . . . -74.83 -40.88 60.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.5 t -77.32 0.08 23.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 115.16 133.24 5.39 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.74 6.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.463 1.77 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.7 t -173.06 98.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.04 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 55.9 p -169.62 106.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.961 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.119 . . . . 0.0 110.95 179.927 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.6 152.34 21.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.3 128.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.57 112.8 0.52 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.3 p -177.05 139.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 p -163.06 175.49 11.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.97 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.65 -152.17 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.541 1.151 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.45 68.01 20.48 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 177.83 8.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.76 111.06 4.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -130.02 116.28 17.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 168.46 24.79 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.44 1.758 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.645 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . -86.55 -164.91 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.834 ' HB3' ' HD3' ' A' ' 15' ' ' PRO . . . 166.81 -53.95 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.834 ' HD3' ' HB3' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -74.95 138.53 23.29 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.534 1.808 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.42 165.57 35.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 t -160.66 153.54 21.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.027 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.88 -72.67 0.29 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 175.96 145.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -176.76 166.53 2.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -43.78 155.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.2 m -130.1 93.78 32.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.378 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 167.89 26.01 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 127.55 10.76 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.77 ' HE2' HD21 ' A' ' 30' ' ' LEU . 1.1 pttm -142.71 -123.75 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.499 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.7 t-80 -108.49 138.07 20.13 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.621 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 26' ' ' HIS . 18.3 Cg_endo -75.07 -35.04 3.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.946 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.499 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -50.61 -37.32 33.47 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.507 HG13 ' CB ' ' A' ' 86' ' ' ALA . 22.0 t -78.86 -59.36 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.77 HD21 ' HE2' ' A' ' 25' ' ' LYS . 4.4 mt -44.67 -35.68 2.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -48.48 -28.57 3.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.601 ' HA ' HD12 ' A' ' 35' ' ' ILE . 0.8 OUTLIER -93.58 -47.66 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.467 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 13.4 mt-10 -48.49 -35.23 12.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.21 73.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.608 HG23 ' OE1' ' A' ' 68' ' ' GLU . 9.8 mt -82.49 -55.54 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.698 HD11 ' HA2' ' A' ' 90' ' ' GLY . 4.5 mm? -42.09 -48.83 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.59 -39.91 17.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 41' ' ' GLY . 3.3 mtpp -76.29 -48.64 19.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.428 ' CG1' ' CD1' ' A' ' 97' ' ' ILE . 74.5 t -42.86 -49.67 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -47.51 -38.54 14.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.345 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . -67.08 -29.73 74.92 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 39' ' ' VAL . 85.8 mt -82.95 -20.6 34.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -74.06 -57.82 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.478 ' CG ' ' N ' ' A' ' 45' ' ' ALA . 14.5 pt20 -44.89 -46.08 10.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.478 ' N ' ' CG ' ' A' ' 44' ' ' GLN . . . -54.52 -45.05 73.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.629 HG22 ' HB2' ' A' ' 101' ' ' LEU . 29.2 t -62.43 -67.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.26 -27.35 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -124.49 45.36 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' ALA . 45.2 t80 -99.31 157.73 16.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -142.45 129.27 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.78 -161.09 24.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.97 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 3.3 mmtt -121.88 -164.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.747 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.583 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 8.8 mttp -82.18 4.91 21.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.8 p -104.94 -47.11 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.442 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.03 134.25 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.73 -37.93 60.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -49.12 -48.9 44.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.583 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 82.5 t80 -55.36 -46.03 76.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.528 ' N ' HD12 ' A' ' 59' ' ' LEU . 5.7 mp -62.43 -51.3 68.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.516 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 18.0 mtp -47.33 -53.73 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.85 -41.62 90.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -52.41 -60.22 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 4.1 pt-20 -60.82 -45.19 95.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.516 ' CD2' ' O ' ' A' ' 60' ' ' MET . 1.2 m-85 -52.57 -43.53 65.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.666 HD13 ' HG ' ' A' ' 98' ' ' LEU . 68.6 mt -61.16 -63.09 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.9 m -47.96 -42.35 27.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -46.01 -37.96 7.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.608 ' OE1' HG23 ' A' ' 35' ' ' ILE . 41.6 mm-40 -74.31 -32.75 62.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.694 HD21 ' HB ' ' A' ' 94' ' ' VAL . 66.9 mt -61.58 -54.98 35.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.408 HD23 HG22 ' A' ' 66' ' ' THR . 3.9 mm? -56.04 -34.62 66.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.44 -25.51 62.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.465 ' HB3' HG23 ' A' ' 91' ' ' VAL . 8.4 mt -82.65 -32.09 28.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.49 -30.55 64.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.2 t -64.19 -17.81 63.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 68.9 t -80.12 123.66 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.28 107.59 59.76 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.479 ' CG ' ' HG2' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.07 -19.95 17.19 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 77' ' ' PRO . 3.3 mt-10 68.52 -62.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' PRO . . . 179.72 36.23 0.07 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.427 ' NH1' ' CD2' ' A' ' 26' ' ' HIS . 2.5 mtp180 -114.85 115.8 27.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 0.734 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.86 -50.84 69.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -43.01 -32.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 85' ' ' GLN . 17.0 t -94.78 -62.82 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.479 ' HG2' ' CG ' ' A' ' 77' ' ' PRO . 2.6 mtt180 -37.72 -30.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.463 ' NE2' HH12 ' A' ' 88' ' ' ARG . 2.5 tp60 -75.25 -74.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.507 ' CB ' HG13 ' A' ' 29' ' ' VAL . . . -41.41 -29.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.445 ' N ' ' C ' ' A' ' 85' ' ' GLN . 2.9 ttt-85 -75.41 -63.92 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.463 HH12 ' NE2' ' A' ' 85' ' ' GLN . 0.4 OUTLIER -56.73 -26.2 56.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -75.1 -41.65 58.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.698 ' HA2' HD11 ' A' ' 36' ' ' LEU . . . -65.59 -48.39 68.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.465 HG23 ' HB3' ' A' ' 72' ' ' LEU . 16.4 t -60.14 -43.13 92.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.477 0.751 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -64.79 -33.12 75.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -64.54 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.694 ' HB ' HD21 ' A' ' 69' ' ' LEU . 21.2 t -46.37 -57.37 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -38.86 -59.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.3 m -52.21 -46.8 65.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.404 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 94' ' ' VAL . 67.0 mt -56.53 -45.11 82.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.666 ' HG ' HD13 ' A' ' 65' ' ' LEU . 6.3 mt -64.98 -31.3 72.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -77.03 -18.29 58.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -84.28 -53.69 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.629 ' HB2' HG22 ' A' ' 46' ' ' VAL . 15.3 tp -48.77 -49.85 36.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 101' ' ' LEU . 30.7 mt-10 -37.79 -58.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.26 -41.0 94.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.258 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -55.17 -31.45 61.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.97 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -97.26 27.73 4.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 t -135.89 8.94 3.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -120.32 -173.84 15.13 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 141.57 26.87 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.53 1.805 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 89.0 p -109.59 177.91 4.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.056 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 71.5 m 62.82 118.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.036 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 p -139.74 92.6 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.949 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.0 p -171.73 167.01 6.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.81 81.22 0.25 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.47 99.29 3.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 110.041 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -171.56 170.29 5.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.955 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.12 -141.0 3.16 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -135.51 91.99 17.86 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 147.24 33.63 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.98 160.32 30.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -158.67 106.4 1.62 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.413 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 18.4 Cg_endo -74.96 163.5 35.28 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 12' ' ' PRO . . . 67.32 133.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.57 114.04 0.51 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -172.42 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.99 -37.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.31 172.45 6.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.959 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 168.71 -88.86 0.09 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.568 1.168 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 49.12 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -172.48 160.46 4.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.93 155.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 m -148.75 102.12 3.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 168.05 25.67 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 127.61 10.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.624 ' HE2' HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -111.4 -133.67 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.488 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 49.0 t-80 -101.16 135.7 19.86 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.542 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.529 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.2 Cg_endo -75.05 -34.44 3.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.488 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -55.43 -32.38 57.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.042 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.568 HG13 ' HB2' ' A' ' 86' ' ' ALA . 32.8 t -81.23 -58.6 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.624 HD21 ' HE2' ' A' ' 25' ' ' LYS . 4.6 mt -43.78 -36.04 2.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.562 ' O ' HD12 ' A' ' 35' ' ' ILE . 6.4 tttt -47.72 -33.04 6.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.649 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -87.52 -47.15 15.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.469 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 17.8 mt-10 -55.15 -41.89 72.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.4 -32.44 68.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 31' ' ' LYS . 20.8 mt -81.74 -54.6 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.517 HD21 ' HA2' ' A' ' 90' ' ' GLY . 7.7 mt -43.52 -38.81 3.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.2 -46.9 82.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -66.5 -40.26 89.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.849 HG22 ' CD ' ' A' ' 68' ' ' GLU . 73.0 t -50.43 -45.25 25.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -46.62 -36.66 7.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.49 -30.0 62.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.56 1.162 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.995 HD12 ' OE2' ' A' ' 68' ' ' GLU . 52.3 mt -85.4 -25.44 27.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.498 ' OE2' ' CE ' ' A' ' 100' ' ' LYS . 2.9 tm-20 -68.96 -46.69 67.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.43 ' CG ' ' N ' ' A' ' 45' ' ' ALA . 6.5 pt20 -56.03 -42.82 77.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' A' ' 44' ' ' GLN . . . -56.63 -36.63 69.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.956 HG22 ' HG ' ' A' ' 101' ' ' LEU . 9.9 t -68.87 -67.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -49.27 -22.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.0 t -118.86 37.19 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.58 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 58.7 t80 -97.89 172.16 7.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.58 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 4.7 pt-20 -165.18 125.59 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 147.22 -139.66 8.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.15 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.885 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -143.31 -172.69 3.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.614 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 2.9 mttp -83.26 3.35 31.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.9 p -109.28 -30.99 7.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.415 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -56.29 132.86 51.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -52.69 -39.32 61.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.25 -56.34 6.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.632 ' CD1' HD22 ' A' ' 101' ' ' LEU . 69.1 t80 -49.57 -49.18 47.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 59' ' ' LEU . 7.5 mp -56.42 -53.06 61.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.457 ' O ' ' CG ' ' A' ' 64' ' ' TYR . 3.9 ttp -46.92 -31.5 3.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' TYR . 97.2 mt -87.49 -54.96 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -39.33 -39.51 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 3.1 pt-20 -71.87 -44.18 64.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.573 ' HB3' HD22 ' A' ' 42' ' ' LEU . 17.0 m-30 -58.1 -40.43 81.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.484 HD21 HG22 ' A' ' 97' ' ' ILE . 6.7 mp -65.31 -78.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.739 ' HA ' HD12 ' A' ' 69' ' ' LEU . 1.8 m -36.98 -40.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.458 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.2 OUTLIER -37.45 -46.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.995 ' OE2' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -68.14 -50.04 57.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.739 HD12 ' HA ' ' A' ' 66' ' ' THR . 63.6 mt -42.88 -46.51 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.606 HD23 HG22 ' A' ' 66' ' ' THR . 4.4 mm? -63.45 -41.69 98.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' GLU . . . -67.91 -33.15 74.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.646 HD13 ' HA ' ' A' ' 91' ' ' VAL . 24.0 mt -67.12 -34.79 78.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -76.74 -36.74 56.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.4 t -55.06 -19.07 6.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.018 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.4 t -82.56 137.83 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -127.13 112.7 21.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.401 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.02 -33.28 4.68 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.466 1.772 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 67.11 21.68 10.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.45 -29.26 6.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -46.11 113.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.9 -52.08 47.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -48.67 -36.02 15.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.401 ' CG1' ' HB3' ' A' ' 77' ' ' PRO . 92.3 t -83.25 -51.17 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -50.57 -43.48 56.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -64.05 -60.81 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.649 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -41.59 -62.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -37.91 -52.72 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.285 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.71 -64.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -47.56 -56.49 7.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.517 ' HA2' HD21 ' A' ' 36' ' ' LEU . . . -49.72 -49.33 34.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.646 ' HA ' HD13 ' A' ' 72' ' ' LEU . 41.3 t -64.17 -56.65 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -49.97 -37.84 34.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.463 ' HB3' HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -56.13 -75.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.459 HG12 ' CD2' ' A' ' 98' ' ' LEU . 22.3 t -42.09 -45.49 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -48.8 -58.8 4.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.3 m -50.13 -38.28 38.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.388 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.625 HG22 HG21 ' A' ' 46' ' ' VAL . 13.2 mt -63.67 -46.46 94.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 98' ' ' LEU . 1.0 OUTLIER -53.68 -47.02 70.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.81 -24.86 66.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.498 ' CE ' ' OE2' ' A' ' 43' ' ' GLU . 13.0 ttpt -75.65 -58.92 2.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.956 ' HG ' HG22 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -39.84 -48.01 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.364 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 105' ' ' ALA . 3.6 mt-10 -47.84 -78.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 107' ' ' GLY . 0.0 OUTLIER -43.44 -38.34 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 2.8 mmpt? -57.7 -43.03 84.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.885 ' HB1' ' HA ' ' A' ' 52' ' ' LYS . . . -74.81 -44.63 48.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.092 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.407 ' HB2' ' CE ' ' A' ' 53' ' ' LYS . 23.3 t -74.05 -1.2 19.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.959 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 103' ' ' GLN . . . -123.7 149.61 16.89 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 149.94 37.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.548 1.815 . . . . 0.0 111.048 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.8 t -174.34 165.8 4.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.002 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.16 100.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 74.17 -69.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.003 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t 67.56 166.08 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.55 -56.07 0.36 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.93 134.87 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 110.028 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.3 p -177.74 163.1 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.462 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . -168.71 -108.73 0.21 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.49 1.118 . . . . 0.0 111.038 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 69.77 75.58 0.25 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.425 0.721 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -176.94 3.14 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.454 1.765 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 11' ' ' GLU . . . -170.11 169.0 8.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER 178.14 91.23 0.15 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 176.45 9.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.9 166.36 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.28 152.9 4.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 131.31 14.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.32 -93.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.9 170.71 18.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.047 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.492 ' O ' ' CG ' ' A' ' 19' ' ' GLU . . . -121.84 51.19 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 18' ' ' GLY . 7.4 pt-20 47.8 -175.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.761 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.21 155.14 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.85 141.39 13.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 1.0 OUTLIER -152.65 135.89 9.64 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.355 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 18.4 Cg_endo -74.97 171.87 17.47 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.467 1.772 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 127.11 10.39 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.548 1.815 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.591 ' HE2' HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -110.68 -134.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 109.344 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.485 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 55.7 t-80 -100.67 135.24 20.16 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.611 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.2 Cg_endo -75.04 -33.84 4.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.485 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -56.12 -30.41 57.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.667 HG13 ' CB ' ' A' ' 86' ' ' ALA . 39.6 t -82.95 -57.63 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.4 mt -43.64 -34.82 1.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.545 ' O ' HD12 ' A' ' 35' ' ' ILE . 6.7 mttt -50.56 -36.77 36.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.77 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -79.72 -47.76 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.47 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 30.2 mt-10 -56.33 -34.38 66.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.25 -34.62 76.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.751 HG23 ' OE2' ' A' ' 68' ' ' GLU . 6.8 mt -81.61 -54.41 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 36' ' ' LEU . 7.2 mt -40.44 -49.94 2.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -44.78 19.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' ILE . 0.5 OUTLIER -68.2 -49.78 58.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.693 HG11 HG22 ' A' ' 94' ' ' VAL . 62.8 t -44.52 -52.96 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -41.82 -52.7 3.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.32 -38.93 63.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.4 mt -73.5 -36.63 65.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.708 ' HB2' HD13 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -67.82 -34.94 77.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.43 -30.42 70.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.64 -29.41 65.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 1.042 HG22 HD13 ' A' ' 101' ' ' LEU . 2.7 t -72.74 -60.95 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -40.82 -31.17 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.9 m -121.93 50.48 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.493 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 9.2 t80 -109.89 163.56 13.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.493 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 2.2 tt0 -147.9 134.19 19.51 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.53 -158.83 24.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.823 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 11.5 mmtt -123.32 -151.66 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.626 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 15.8 mttp -100.75 15.56 27.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.6 p -116.88 -39.82 3.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.619 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.2 m-20 -47.57 137.4 9.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -34.87 37.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' MET . 2.8 ttmt -51.1 -60.1 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.626 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 57.7 t80 -43.74 -52.49 6.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.701 ' H ' HD22 ' A' ' 59' ' ' LEU . 1.0 OUTLIER -66.58 -27.57 67.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.618 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.5 ttp -66.13 -42.55 88.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.686 HG22 HD13 ' A' ' 65' ' ' LEU . 50.6 mt -77.14 -58.32 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.777 ' OE1' HD11 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -37.29 -61.07 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.349 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.62 -64.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.618 ' CD2' ' O ' ' A' ' 60' ' ' MET . 22.0 m-85 -47.71 -47.01 30.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.792 HD23 HD22 ' A' ' 98' ' ' LEU . 10.8 mp -54.26 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' LEU . 9.1 m -46.51 -44.86 18.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -43.65 -39.66 3.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.751 ' OE2' HG23 ' A' ' 35' ' ' ILE . 8.3 mm-40 -70.46 -39.83 74.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.745 HD12 HG11 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -47.76 -57.0 6.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mt -52.29 -34.33 46.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 68' ' ' GLU . . . -73.93 -26.03 60.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.409 HD13 ' C ' ' A' ' 90' ' ' GLY . 52.4 mt -78.74 -32.35 46.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.86 -35.66 22.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.1 t -49.39 -23.33 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.462 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 70.5 t -70.9 136.25 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -114.94 102.82 54.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -22.05 15.18 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.18 -61.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -174.48 36.58 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.434 ' NE ' ' HE2' ' A' ' 26' ' ' HIS . 6.1 mmt180 -102.3 143.48 32.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.39 -57.92 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.09 -33.13 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.457 HG22 ' CG2' ' A' ' 29' ' ' VAL . 18.6 t -84.37 -57.02 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -40.51 -41.92 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -61.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.77 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -41.78 -56.4 2.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.462 ' NE ' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -47.3 -55.37 8.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -53.79 -61.59 2.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.9 -55.44 11.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.593 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -46.8 -38.97 10.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.6 t -81.86 -33.33 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 92' ' ' ARG . 5.4 tpt180 -65.86 -33.12 75.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.417 ' HB3' HD21 ' A' ' 36' ' ' LEU . 37.7 tptt -66.63 -52.21 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.782 HG12 HD23 ' A' ' 98' ' ' LEU . 12.4 t -58.93 -56.38 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -38.58 -56.93 1.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.6 m -51.9 -49.64 62.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.383 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.708 HD13 ' HB2' ' A' ' 43' ' ' GLU . 26.0 mt -57.34 -43.75 82.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.792 HD22 HD23 ' A' ' 65' ' ' LEU . 2.6 mm? -55.83 -30.94 62.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -83.66 -27.56 29.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.817 ' CG ' HG11 ' A' ' 46' ' ' VAL . 2.8 ptmt -73.67 -44.88 55.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.042 HD13 HG22 ' A' ' 46' ' ' VAL . 46.3 tp -48.6 -58.33 4.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 105' ' ' ALA . 6.7 mt-10 -36.93 -66.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -45.43 -44.61 12.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -64.43 -34.63 78.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.823 ' HB1' ' O ' ' A' ' 52' ' ' LYS . . . -100.05 29.52 4.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 t -134.85 8.96 3.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 126.72 133.85 3.91 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 168.17 25.41 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.6 t -151.07 -58.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.961 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.6 t -50.88 -56.64 11.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.975 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.453 1.095 . . . . 0.0 110.99 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m 64.08 163.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 109.988 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.99 -165.09 1.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.11 -84.25 0.14 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 54.39 95.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.785 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 t 179.02 114.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.51 163.46 29.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.103 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.07 154.67 81.76 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 120.11 5.93 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.77 158.82 2.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -166.45 72.96 1.17 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.24 16.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.444 1.76 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.645 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . -176.29 139.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.841 ' HB3' ' HD3' ' A' ' 15' ' ' PRO . . . 166.03 -53.89 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.841 ' HD3' ' HB3' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.0 157.33 42.83 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -159.05 -82.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.7 167.03 23.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 164.22 65.14 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 26.1 mt-10 -91.21 133.47 35.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 0.734 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 19' ' ' GLU . . . -179.68 167.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.69 126.48 1.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -178.57 150.88 0.7 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.372 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 170.92 19.35 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 171.38 18.44 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 110.97 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.576 ' HD2' HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -124.63 -112.28 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.454 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 54.1 t-80 -101.31 136.62 19.62 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.563 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -74.99 -39.01 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.454 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -54.85 -27.22 43.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.426 ' O ' HG22 ' A' ' 32' ' ' VAL . 94.2 t -85.85 -59.08 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.576 HD21 ' HD2' ' A' ' 25' ' ' LYS . 4.0 mt -42.78 -33.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.52 ' O ' HD12 ' A' ' 35' ' ' ILE . 5.8 tttt -51.01 -36.99 42.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.62 HG21 ' HB1' ' A' ' 86' ' ' ALA . 1.0 OUTLIER -84.91 -48.17 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 39.3 mt-10 -52.78 -32.86 45.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.49 -38.86 88.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.52 HD12 ' O ' ' A' ' 31' ' ' LYS . 8.4 mt -76.37 -59.63 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.501 HD23 ' HA ' ' A' ' 36' ' ' LEU . 11.1 mt -40.29 -43.62 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -49.68 -46.86 50.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' ILE . 25.2 mtpt -70.03 -46.52 64.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.466 ' HA ' HD12 ' A' ' 42' ' ' LEU . 53.2 t -40.84 -55.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -38.92 -48.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.47 -46.54 92.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.742 HD22 ' HB3' ' A' ' 64' ' ' TYR . 8.5 mt -65.25 -24.51 67.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' VAL . 3.8 tm-20 -71.16 -53.27 15.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -43.33 -41.64 4.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.91 96.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.594 HG22 ' HB2' ' A' ' 101' ' ' LEU . 21.3 t -66.52 -50.75 64.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -60.82 -15.18 27.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.5 42.69 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.921 ' CE1' ' HB2' ' A' ' 105' ' ' ALA . 3.6 t80 -103.18 166.81 10.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.64 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 3.0 pt-20 -165.52 128.1 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 152.97 -135.35 4.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.861 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -143.21 -176.38 4.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.608 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 48.5 mttt -77.82 -11.47 59.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.8 p -92.48 -42.03 9.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.364 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -41.82 136.87 1.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 57' ' ' LYS . 23.4 tptt -54.43 -48.98 71.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' LYS . 1.3 tppt? -40.25 -61.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.608 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 89.1 t80 -42.51 -50.08 5.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.0 mp -57.43 -55.66 31.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.572 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.3 mtp -43.13 -48.95 6.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.9 mt -69.08 -43.23 81.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.4 ' CD ' ' C ' ' A' ' 62' ' ' GLU . 3.4 tm-20 -54.73 -53.57 53.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.341 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 2.8 pt-20 -64.01 -43.58 95.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.742 ' HB3' HD22 ' A' ' 42' ' ' LEU . 1.7 m-85 -58.34 -48.66 79.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.718 HD13 HD22 ' A' ' 98' ' ' LEU . 64.3 mt -54.05 -71.55 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.432 ' HA ' HD12 ' A' ' 69' ' ' LEU . 1.3 m -43.63 -42.92 5.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -38.92 -45.57 1.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.586 ' OE1' HD13 ' A' ' 42' ' ' LEU . 13.9 mp0 -68.1 -47.08 69.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.86 HD21 ' HB ' ' A' ' 94' ' ' VAL . 81.4 mt -41.82 -54.27 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 mt -53.19 -43.66 67.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' GLU . . . -66.2 -23.02 66.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.2 mt -85.36 -51.35 6.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.467 ' O ' ' NH2' ' A' ' 87' ' ' ARG . 0.2 OUTLIER -64.52 -21.97 66.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.4 t -70.72 -5.52 30.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.476 ' O ' ' CZ ' ' A' ' 87' ' ' ARG . 59.4 t -84.15 130.5 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -110.95 99.38 42.48 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 79' ' ' GLY . 18.4 Cg_endo -74.96 -28.38 9.3 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.464 1.77 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 77' ' ' PRO . 0.3 OUTLIER 68.94 -59.07 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 77' ' ' PRO . . . -176.08 43.83 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -117.85 97.78 6.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 82' ' ' ASP . . . -40.14 -57.47 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 81' ' ' ALA . 0.6 OUTLIER -39.64 -49.58 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.347 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 84' ' ' ARG . 13.9 t -76.24 -62.33 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' VAL . 25.8 mtp180 -36.79 -41.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ARG . 1.0 OUTLIER -71.0 -66.63 0.59 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.244 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.62 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -44.94 -59.1 2.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.476 ' CZ ' ' O ' ' A' ' 75' ' ' VAL . 49.7 ttt180 -48.13 -26.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' GLN . 1.2 mtt-85 -82.4 -61.95 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -50.89 -22.21 2.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.86 -67.37 2.0 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.516 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 14.8 m -56.59 -34.5 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -60.17 -44.43 95.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.435 ' CE ' HD11 ' A' ' 97' ' ' ILE . 3.5 tptt -53.47 -60.58 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.86 ' HB ' HD21 ' A' ' 69' ' ' LEU . 13.0 t -47.4 -54.93 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -42.23 -52.01 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.9 m -57.71 -41.39 81.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 94' ' ' VAL . 57.1 mt -61.89 -41.74 91.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.718 HD22 HD13 ' A' ' 65' ' ' LEU . 2.1 mm? -56.98 -51.38 69.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -54.28 -37.44 64.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 101' ' ' LEU . 4.8 mtpt -61.44 -71.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.719 HD11 ' CD2' ' A' ' 49' ' ' PHE . 31.4 tp -40.52 -53.02 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -38.36 -57.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -34.38 78.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 101' ' ' LEU . 28.8 mmmt -60.42 -57.61 12.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.921 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . . . -84.28 48.08 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.66 5.58 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 163.45 164.51 18.71 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 128.81 11.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.2 t -149.6 -49.71 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.993 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 89.1 p -118.82 155.22 31.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.553 1.158 . . . . 0.0 111.038 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -163.71 170.53 16.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.4 p -155.86 170.75 21.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.68 153.73 5.96 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -178.68 125.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.82 154.08 0.31 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.082 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.71 157.85 7.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.59 67.8 24.64 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.444 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 18.3 Cg_endo -74.95 -177.29 3.36 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.056 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 178.16 60.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -171.47 115.65 0.43 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 1.53 7.62 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.83 140.38 1.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -179.18 70.79 0.19 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -177.14 3.27 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.02 -175.16 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.11 168.93 24.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.019 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.47 -95.07 0.21 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 55.55 -176.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.777 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.37 -171.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -40.56 137.03 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.429 HG23 ' HD2' ' A' ' 23' ' ' PRO . 1.3 m -128.52 138.52 33.24 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.406 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.429 ' HD2' HG23 ' A' ' 22' ' ' THR . 18.3 Cg_endo -74.97 173.0 15.25 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.498 1.788 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 127.04 10.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 111.04 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.04 -133.09 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.443 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 62.7 t-80 -101.33 137.79 19.75 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.626 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.735 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.2 Cg_endo -75.02 -35.82 2.9 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.58 1.831 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.443 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -55.02 -36.65 61.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.531 HG13 ' CB ' ' A' ' 86' ' ' ALA . 39.6 t -74.77 -59.08 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 27' ' ' PRO . 5.2 mt -39.92 -35.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.613 ' HG2' HG12 ' A' ' 75' ' ' VAL . 1.6 tttt -42.36 -35.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.012 HG21 ' HB1' ' A' ' 86' ' ' ALA . 1.2 m -84.32 -43.68 17.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.411 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 2.4 mt-10 -53.41 -34.26 57.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.73 -33.44 75.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.791 HG22 ' HB3' ' A' ' 68' ' ' GLU . 13.1 mt -81.42 -54.72 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.088 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 36' ' ' LEU . 8.8 mt -43.14 -37.54 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -45.65 -41.99 10.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.488 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -69.46 -49.0 59.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.587 ' CG2' HG22 ' A' ' 94' ' ' VAL . 84.0 t -45.81 -37.55 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -55.9 -31.92 63.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . -74.75 -27.68 64.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.752 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -91.18 -30.71 16.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 0.735 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -66.52 -43.35 85.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -71.65 -28.87 64.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -72.51 -48.81 37.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.747 HG22 ' HG ' ' A' ' 101' ' ' LEU . 11.0 t -56.24 -59.44 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.78 -35.34 4.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.95 49.05 1.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.964 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 31.0 t80 -107.98 163.06 13.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 4.9 tt0 -156.38 132.61 9.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 152.91 -131.02 3.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.9 ' CA ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -154.5 -171.34 3.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.613 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 5.0 mtmt -90.81 2.89 55.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.7 p -114.11 -19.1 11.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.392 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.38 159.94 17.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -75.24 -54.02 7.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -40.53 -46.9 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 1.018 ' CE1' HD13 ' A' ' 101' ' ' LEU . 63.5 t80 -54.81 -46.95 74.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.26 -34.25 73.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.454 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.2 ttp -60.26 -48.48 81.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.8 mt -66.55 -44.48 90.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -50.75 -66.13 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.35 -58.92 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.693 ' CB ' HD11 ' A' ' 42' ' ' LEU . 14.0 m-85 -51.68 -61.54 2.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.561 ' HB3' HD21 ' A' ' 98' ' ' LEU . 55.7 mt -39.38 -63.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.778 ' HA ' HD12 ' A' ' 69' ' ' LEU . 3.4 m -57.89 -48.41 79.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 110.393 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' THR . 58.5 mttt -39.82 -48.65 2.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.791 ' HB3' HG22 ' A' ' 35' ' ' ILE . 5.8 mm-40 -63.98 -42.44 97.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.793 HD21 ' HB ' ' A' ' 94' ' ' VAL . 47.1 mt -52.38 -58.0 8.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.449 HD23 HG22 ' A' ' 66' ' ' THR . 4.2 mm? -47.36 -39.11 14.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.659 ' C ' HD13 ' A' ' 35' ' ' ILE . . . -73.02 -32.91 65.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' LEU . 18.5 mt -65.03 -30.71 71.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -94.54 -17.61 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.8 t -61.8 -39.81 93.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.648 HG22 ' HD2' ' A' ' 87' ' ' ARG . 4.7 m -61.88 143.91 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.3 118.2 46.14 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.59 ' HA ' HG11 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.02 -20.34 16.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.555 1.819 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.446 ' OE1' ' NH1' ' A' ' 80' ' ' ARG . 16.2 mt-10 75.91 -66.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -173.88 33.69 0.11 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.446 ' NH1' ' OE1' ' A' ' 78' ' ' GLU . 0.5 OUTLIER -114.6 157.97 22.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.44 -42.76 8.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 1.178 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.29 -42.1 60.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.59 HG11 ' HA ' ' A' ' 77' ' ' PRO . 30.7 t -69.47 -55.82 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 88' ' ' ARG . 59.3 mtp180 -52.85 -47.17 67.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -44.24 -61.86 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 1.012 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -61.39 -48.9 79.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.648 ' HD2' HG22 ' A' ' 75' ' ' VAL . 0.8 OUTLIER -56.8 -18.51 13.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 84' ' ' ARG . 1.5 ttt180 -100.68 -35.36 9.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -68.3 -64.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.408 ' C ' HD13 ' A' ' 72' ' ' LEU . . . -43.88 -31.81 2.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 87' ' ' ARG . 75.8 t -70.92 -52.58 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.99 -24.69 59.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.566 ' HE2' HD11 ' A' ' 97' ' ' ILE . 6.0 tptm -65.54 -66.4 0.55 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.793 ' HB ' HD21 ' A' ' 69' ' ' LEU . 15.0 t -46.15 -51.3 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -43.73 -50.42 7.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.5 m -58.83 -31.96 68.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.602 HG22 HG21 ' A' ' 46' ' ' VAL . 29.6 mt -71.22 -39.95 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.591 ' CD2' HG12 ' A' ' 94' ' ' VAL . 2.5 mm? -63.08 -48.79 77.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.23 -21.41 65.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.457 ' O ' ' CG ' ' A' ' 104' ' ' LYS . 15.7 ttpp -89.97 -48.7 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.018 HD13 ' CE1' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -42.2 -55.96 3.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 105' ' ' ALA . 5.3 mt-10 -46.64 -73.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 107' ' ' GLY . 34.2 mt-30 -39.9 -45.63 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 1.4 mmpt? -54.89 -48.35 73.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.239 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.9 ' HB1' ' CA ' ' A' ' 52' ' ' LYS . . . -66.13 -39.28 89.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.5 t -81.9 4.52 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 103' ' ' GLN . . . -84.32 -149.2 9.88 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.8 3.71 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.531 1.806 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 68.0 m -167.07 87.6 0.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.042 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.2 t -130.6 80.14 1.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 p -171.8 131.35 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.23 165.05 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.98 178.82 46.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 p -178.67 172.53 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.961 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -177.46 167.86 2.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.031 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.52 -155.47 31.9 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -161.21 68.47 2.45 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.536 0.786 . . . . 0.0 109.294 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -164.72 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.481 1.78 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.16 73.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -150.64 133.59 8.55 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 11' ' ' GLU . 18.1 Cg_endo -75.04 -174.62 2.01 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.526 ' HB3' HG21 ' A' ' 96' ' ' THR . . . -175.4 -178.31 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.15 151.27 27.4 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.41 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 18.4 Cg_endo -74.95 177.11 9.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 15' ' ' PRO . 1.7 mttt -166.37 142.08 4.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.7 p -161.63 165.54 28.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 149.63 59.85 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.532 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 1.1 pm0 -92.99 135.68 33.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 0.778 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 19' ' ' GLU . . . 173.91 -175.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.02 106.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.445 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 1.2 m -161.39 134.6 4.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.406 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 18.2 Cg_endo -75.06 163.75 34.61 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.465 1.771 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 145.58 31.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.45 -97.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.453 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 64.3 t-80 -110.85 139.37 21.63 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.585 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.591 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.0 -36.58 2.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.78 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.453 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -58.25 -34.02 72.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.549 1.156 . . . . 0.0 111.047 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.608 ' O ' HG13 ' A' ' 32' ' ' VAL . 82.6 t -76.3 -56.99 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 27' ' ' PRO . 7.2 mt -43.79 -36.54 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.483 ' O ' HD12 ' A' ' 35' ' ' ILE . 4.8 tttt -45.5 -29.51 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.797 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.9 OUTLIER -87.46 -46.59 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.457 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 6.3 mt-10 -56.21 -33.12 65.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.29 -32.53 72.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.824 HG21 ' HG ' ' A' ' 72' ' ' LEU . 20.6 mt -81.88 -54.62 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 36' ' ' LEU . 8.3 mt -43.86 -36.86 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -50.41 -38.3 42.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.505 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 25.6 mttt -72.93 -48.54 36.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.501 ' CG1' ' CD1' ' A' ' 97' ' ' ILE . 93.5 t -46.55 -36.68 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.178 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -57.54 -31.08 65.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 110.261 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.87 -25.44 69.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.698 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -94.22 -34.49 12.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.745 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.609 ' HB2' HD13 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -69.34 -39.6 78.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.255 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.31 -24.89 62.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -80.29 -39.5 28.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.473 HG22 HD13 ' A' ' 101' ' ' LEU . 10.9 t -62.78 -52.99 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -57.99 -19.3 29.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.46 16.73 15.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.763 ' CD2' HD12 ' A' ' 101' ' ' LEU . 43.6 t80 -94.16 138.98 31.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -138.27 21.27 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.43 ' HA3' ' CE1' ' A' ' 49' ' ' PHE . . . -82.14 -142.28 3.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.781 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.2 OUTLIER -147.81 -170.79 3.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.771 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.419 ' N ' ' HB1' ' A' ' 105' ' ' ALA . 8.4 mttt -84.74 7.15 21.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.5 p -114.12 -32.9 5.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -54.16 155.75 3.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.471 ' HA ' HD12 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -72.44 -43.55 63.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -46.19 -48.77 17.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.567 ' CE1' ' HG ' ' A' ' 101' ' ' LEU . 67.5 t80 -55.7 -41.2 73.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 56' ' ' LYS . 13.2 mt -69.26 -33.6 73.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.599 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 3.2 mtp -68.93 -45.48 70.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.657 HG22 HD22 ' A' ' 101' ' ' LEU . 47.3 mt -67.38 -31.46 53.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -70.53 -53.03 17.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.255 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 2.8 pt-20 -55.5 -44.75 76.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 60' ' ' MET . 21.2 m-85 -67.02 -60.8 2.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.503 HD22 HG13 ' A' ' 94' ' ' VAL . 34.8 mt -38.11 -50.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.2 m -65.05 -46.21 82.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.438 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 64' ' ' TYR . 25.1 mttp -45.19 -41.73 8.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.622 ' OE1' HG23 ' A' ' 35' ' ' ILE . 53.6 mm-40 -70.13 -33.59 72.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.911 HD21 ' HB ' ' A' ' 94' ' ' VAL . 30.8 mt -61.92 -58.34 8.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -51.43 -35.36 39.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.37 -26.3 61.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.824 ' HG ' HG21 ' A' ' 35' ' ' ILE . 36.1 mt -79.65 -28.63 40.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -78.02 -37.62 46.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -57.06 -17.33 9.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 75.6 t -82.63 121.25 35.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -113.94 111.89 47.84 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -22.92 14.2 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 73.74 -63.94 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -164.94 31.37 0.23 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -105.61 130.89 53.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 110.341 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.92 -43.25 18.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.13 -30.52 59.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.56 ' HA ' HG22 ' A' ' 29' ' ' VAL . 39.9 t -86.17 -48.24 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.26 -47.63 68.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.549 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 6.4 pt20 -56.92 -48.92 77.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.797 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -64.84 -44.45 89.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -43.65 97.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -60.02 -49.38 77.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER -62.32 -35.69 79.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.257 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.526 ' C ' HD13 ' A' ' 72' ' ' LEU . . . -52.29 -60.95 7.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.486 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 3.2 m -68.08 -48.74 73.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.738 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.456 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 0.2 OUTLIER -52.13 -35.88 49.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.494 ' CE ' HD11 ' A' ' 97' ' ' ILE . 6.2 tptm -63.22 -48.1 79.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.911 ' HB ' HD21 ' A' ' 69' ' ' LEU . 19.0 t -65.25 -57.77 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 94' ' ' VAL . 28.2 mt-30 -36.63 -44.65 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.526 HG21 ' HB3' ' A' ' 13' ' ' ALA . 14.3 m -67.03 -51.88 49.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.609 HD13 ' HB2' ' A' ' 43' ' ' GLU . 12.9 mt -57.58 -40.97 77.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.8 mt -58.76 -46.16 88.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -31.88 72.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.41 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 1.2 mtpt -65.63 -60.71 2.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.763 HD12 ' CD2' ' A' ' 49' ' ' PHE . 52.5 tp -40.56 -49.15 2.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -42.57 -70.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -60.01 -45.98 90.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -46.5 -40.31 12.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.781 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -63.98 -41.44 97.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.7 m -78.71 1.94 21.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 112.04 158.77 14.52 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -38.04 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.473 1.775 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.1 p -40.86 103.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.01 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 42.9 m -72.05 171.1 12.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.971 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -159.27 138.15 11.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 110.042 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -154.8 144.94 21.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.72 114.8 1.99 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.11 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.22 164.65 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.69 158.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.22 -172.41 32.63 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.02 91.55 1.37 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 143.06 28.45 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.462 1.769 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.18 77.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -176.48 167.89 1.41 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.98 5.52 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.25 176.75 8.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 65.13 91.2 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -178.03 3.87 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -114.06 166.66 11.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.7 m -156.24 160.66 40.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.02 66.19 0.04 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -70.23 134.58 48.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -163.66 -175.68 4.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.79 163.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.7 m -134.44 92.33 20.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 173.64 14.14 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.563 1.822 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 126.09 9.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HE2' HD21 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -138.23 -129.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.48 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 62.3 t-80 -101.36 138.52 19.94 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.641 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.706 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.4 Cg_endo -75.02 -36.34 2.59 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.468 1.773 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.502 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -51.94 -34.53 38.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.82 HG13 ' CB ' ' A' ' 86' ' ' ALA . 31.3 t -79.54 -54.92 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.361 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 27' ' ' PRO . 6.0 mt -45.76 -36.86 5.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.38 -34.51 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.742 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.9 OUTLIER -83.84 -46.48 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.457 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 2.1 mt-10 -54.62 -36.07 64.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.22 -32.97 73.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.457 ' CG2' ' HB3' ' A' ' 68' ' ' GLU . 19.6 mt -85.29 -46.08 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.595 HD22 ' HG2' ' A' ' 93' ' ' LYS . 15.5 mt -49.71 -36.82 26.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -39.8 89.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.5 -35.04 60.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' LEU . 42.7 t -50.77 -46.48 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -46.21 -43.4 15.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.98 -28.13 72.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.717 HD22 ' HB3' ' A' ' 64' ' ' TYR . 65.9 mt -86.87 -22.1 25.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.498 ' HB2' HD13 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -86.15 -35.26 20.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.436 ' CG ' ' N ' ' A' ' 45' ' ' ALA . 11.0 pt20 -65.23 -43.78 90.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -58.71 -32.04 68.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.949 HG22 HD13 ' A' ' 101' ' ' LEU . 4.6 t -66.83 -61.31 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -48.08 -25.78 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.5 t -92.29 -28.49 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.609 ' CE2' ' HB2' ' A' ' 105' ' ' ALA . 49.2 t80 -65.47 151.9 45.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -154.84 22.34 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.53 -136.92 0.44 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.998 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.1 OUTLIER -143.79 -171.52 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.584 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 14.1 mttp -83.35 5.13 24.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -110.87 -50.08 2.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -41.82 138.63 1.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -58.59 -42.88 89.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.84 -56.99 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.584 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 63.3 t80 -50.07 -47.29 53.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 111.034 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 59' ' ' LEU . 7.3 mp -62.91 -52.8 61.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.605 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 2.2 ttp -45.71 -42.98 12.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.824 HG22 ' CD1' ' A' ' 65' ' ' LEU . 32.8 mt -77.46 -43.11 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -48.38 -44.4 34.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.469 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 2.4 pt-20 -72.12 -41.95 66.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.717 ' HB3' HD22 ' A' ' 42' ' ' LEU . 12.1 m-30 -56.53 -39.87 74.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.927 HD21 HG22 ' A' ' 97' ' ' ILE . 10.4 mp -62.16 -77.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.926 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.1 m -37.5 -42.9 0.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.409 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' THR . 17.9 mttp -39.73 -44.59 1.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.36 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.457 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 5.8 mm-40 -67.65 -45.02 76.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.926 HD12 ' HA ' ' A' ' 66' ' ' THR . 10.3 mt -46.78 -50.72 17.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 74' ' ' SER . 3.6 mm? -58.76 -38.35 78.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.71 -20.22 59.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.501 HD13 ' C ' ' A' ' 90' ' ' GLY . 33.1 mt -89.97 -25.83 20.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -98.95 -15.94 18.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' LEU . 13.9 t -66.1 -37.73 86.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.571 HG22 ' HD2' ' A' ' 87' ' ' ARG . 5.3 m -66.64 141.51 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -112.7 117.63 46.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.432 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.02 -22.03 15.2 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.01 32.27 21.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.9 -21.26 44.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -53.5 97.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 0.781 . . . . 0.0 110.335 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.75 -47.02 71.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.88 -43.56 63.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.581 ' HA ' HG22 ' A' ' 29' ' ' VAL . 64.6 t -74.2 -51.07 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.432 ' HG3' ' CG ' ' A' ' 77' ' ' PRO . 4.4 mtt180 -49.22 -48.3 45.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 89' ' ' ASP . 1.1 tt0 -51.19 -59.39 4.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.82 ' CB ' HG13 ' A' ' 29' ' ' VAL . . . -59.2 -36.34 75.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.571 ' HD2' HG22 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -64.03 -41.95 97.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -22.76 37.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 85' ' ' GLN . 41.1 t0 -79.03 -45.89 19.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.611 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -56.69 -47.81 82.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.524 ' HA ' HD23 ' A' ' 69' ' ' LEU . 34.7 m -60.32 -44.65 96.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.763 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 23.3 ttt-85 -56.28 -44.88 80.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 110.344 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.595 ' HG2' HD22 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -55.55 -47.77 75.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 90' ' ' GLY . 11.3 t -64.91 -53.19 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -40.56 -58.16 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 99' ' ' GLU . 3.1 m -50.46 -56.46 11.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.927 HG22 HD21 ' A' ' 65' ' ' LEU . 55.0 mt -47.51 -49.5 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.469 ' HG ' ' CD2' ' A' ' 65' ' ' LEU . 4.2 mt -55.84 -27.97 54.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 96' ' ' THR . 2.8 tt0 -82.73 -28.36 30.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.87 ' CG ' HG11 ' A' ' 46' ' ' VAL . 3.6 ptmt -72.74 -44.01 62.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.949 HD13 HG22 ' A' ' 46' ' ' VAL . 12.2 tp -52.07 -57.31 9.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 101' ' ' LEU . 54.0 mt-10 -37.39 -57.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -53.36 -41.89 66.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 110.336 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -61.2 -38.44 86.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.998 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -96.96 36.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -135.87 8.8 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -157.05 154.98 25.99 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -167.15 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.1 t -65.13 144.36 57.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.1 p -135.09 137.49 42.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t 63.33 114.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.991 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 p 179.15 128.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.021 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.15 134.83 4.99 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.69 167.72 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 110.013 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 m 58.09 160.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.966 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.36 144.92 4.55 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.83 67.46 12.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.335 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -58.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.533 1.807 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 65.69 165.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 68.71 91.85 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -177.19 3.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -159.91 170.75 20.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -179.19 92.33 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -174.69 2.02 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.58 133.04 11.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -178.24 135.26 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -112.58 -81.48 1.1 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.448 1.093 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -178.91 140.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 110.3 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 19' ' ' GLU . . . -179.82 164.06 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -39.92 115.04 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.457 HG23 ' HD2' ' A' ' 23' ' ' PRO . 1.3 m -158.6 139.96 9.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.457 ' HD2' HG23 ' A' ' 22' ' ' THR . 18.2 Cg_endo -75.02 173.17 14.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.563 1.823 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 127.29 10.59 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.94 -136.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.488 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 63.6 t-80 -97.99 137.62 20.9 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.616 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.705 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -74.98 -37.46 2.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.529 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -54.61 -29.03 47.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.933 HG13 ' HB2' ' A' ' 86' ' ' ALA . 59.5 t -82.97 -56.67 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.774 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.8 mt -43.83 -35.66 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -48.05 -35.19 10.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.807 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -82.76 -46.5 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.447 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 11.3 mt-10 -51.27 -34.65 33.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.22 89.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.518 HD13 ' C ' ' A' ' 71' ' ' ALA . 12.7 mt -77.9 -49.19 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.598 ' CD2' HD21 ' A' ' 72' ' ' LEU . 3.9 mm? -48.36 -35.12 11.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -48.18 82.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' C ' ' OE2' ' A' ' 68' ' ' GLU . 4.0 mtpp -61.26 -36.62 80.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.543 ' HA ' HD23 ' A' ' 42' ' ' LEU . 98.9 t -56.62 -33.22 39.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.468 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 8.6 mt-30 -55.64 -30.8 61.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.98 -26.69 68.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.631 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.4 mm? -91.28 -37.16 13.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.439 0.729 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.693 ' HB2' HD13 ' A' ' 97' ' ' ILE . 0.2 OUTLIER -72.72 -42.59 63.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.468 ' CG ' ' O ' ' A' ' 40' ' ' GLN . 12.9 mm100 -64.29 -31.74 73.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' SER . . . -74.45 -40.12 62.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.896 HG11 ' CG ' ' A' ' 100' ' ' LYS . 4.9 t -58.12 -64.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -44.08 -27.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 45' ' ' ALA . 23.4 t -125.08 46.61 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.52 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 2.9 t80 -116.77 165.53 13.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.52 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 2.0 tt0 -160.07 134.3 7.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 159.74 -131.97 2.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.662 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -154.9 -170.88 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.597 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 1.6 mtmp? -88.59 5.69 41.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 71.5 p -114.44 -30.19 6.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.06 156.57 2.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -80.3 -32.85 38.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -40.7 80.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.982 ' CE1' HD13 ' A' ' 101' ' ' LEU . 56.2 t80 -64.38 -43.39 94.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 56' ' ' LYS . 22.9 mt -59.14 -35.2 73.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.595 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 3.3 mtp -58.89 -50.69 73.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.511 HG21 HG23 ' A' ' 46' ' ' VAL . 12.1 mt -72.25 -36.54 56.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.606 ' OE1' ' CE2' ' A' ' 58' ' ' TYR . 2.3 tt0 -64.43 -50.39 67.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.477 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 4.5 pt-20 -61.7 -44.53 96.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.344 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 60' ' ' MET . 3.1 m-85 -59.95 -65.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 64' ' ' TYR . 26.4 mt -34.11 -56.34 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' LEU . 3.1 m -57.08 -48.69 77.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.425 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 64' ' ' TYR . 18.5 mttm -47.78 -34.21 8.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.489 ' OE2' ' N ' ' A' ' 39' ' ' VAL . 18.0 mt-10 -74.37 -33.03 62.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.87 HD12 HG11 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -58.76 -55.92 28.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.3 mt -51.35 -33.01 27.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.518 ' C ' HD13 ' A' ' 35' ' ' ILE . . . -69.59 -28.26 65.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.598 HD21 ' CD2' ' A' ' 36' ' ' LEU . 17.4 mt -81.56 -29.41 33.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.367 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.12 -39.55 33.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.8 t -53.55 -19.9 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.7 t -74.02 126.96 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -110.26 113.47 56.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.475 ' O ' ' CD ' ' A' ' 80' ' ' ARG . 18.2 Cg_endo -75.02 -32.42 5.37 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 64.43 11.47 6.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 101.87 50.36 1.18 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.475 ' CD ' ' O ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -126.18 101.36 6.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 0.792 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 85' ' ' GLN . . . -39.74 -55.24 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.97 -63.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.529 HG13 ' O ' ' A' ' 28' ' ' GLY . 4.2 t -61.5 -56.19 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -43.56 -31.53 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.454 ' CD ' ' N ' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -76.22 -69.5 0.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.933 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -39.32 -32.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -72.3 -67.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.55 -34.88 12.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.69 -54.83 5.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.466 ' HA2' HD11 ' A' ' 36' ' ' LEU . . . -42.41 -59.86 2.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.9 m -54.11 -45.5 65.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.355 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -46.82 42.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -56.42 -49.62 74.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.87 HG11 HD12 ' A' ' 69' ' ' LEU . 59.9 t -64.71 -56.75 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -38.9 -54.84 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.2 m -54.55 -56.84 14.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.366 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.693 HD13 ' HB2' ' A' ' 43' ' ' GLU . 40.5 mt -48.04 -53.66 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 98' ' ' LEU . 7.9 mt -49.08 -35.26 15.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.89 -29.5 50.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.256 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.896 ' CG ' HG11 ' A' ' 46' ' ' VAL . 1.1 ptmt -74.32 -39.09 63.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.982 HD13 ' CE1' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -51.89 -55.33 20.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 105' ' ' ALA . 7.2 mt-10 -38.49 -69.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -42.15 -40.74 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.575 ' HG3' HG13 ' A' ' 46' ' ' VAL . 2.5 mmpt? -65.16 -44.19 89.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.662 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -92.43 33.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.42 5.91 4.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 152.09 169.94 18.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 163.28 35.69 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.8 t -167.98 -56.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.3 p -93.07 -54.2 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.436 1.085 . . . . 0.0 111.02 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.42 128.35 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 0.806 . . . . 0.0 109.997 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 t -172.58 160.64 4.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.963 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.42 -49.84 0.57 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -42.82 -63.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.002 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 p 52.02 177.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.46 178.38 43.83 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.609 ' HB1' ' HD2' ' A' ' 9' ' ' PRO . . . -97.64 168.18 10.54 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.481 0.754 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.609 ' HD2' ' HB1' ' A' ' 8' ' ' ALA . 18.2 Cg_endo -75.03 153.79 41.89 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -174.1 172.91 3.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -73.72 147.95 87.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.608 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 18.4 Cg_endo -75.0 -179.63 5.18 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 12' ' ' PRO . . . 169.06 151.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.22 153.26 3.64 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -178.59 4.27 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.04 103.61 4.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.2 p -173.96 172.2 3.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.79 59.39 0.33 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 58.92 156.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 110.34 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.94 145.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -43.5 145.91 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 0.7 OUTLIER -161.01 149.66 13.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 18.2 Cg_endo -74.96 169.12 23.31 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.544 1.813 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 125.84 9.6 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.471 1.774 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HG3' HD11 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -120.19 -132.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.498 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.6 t-80 -96.37 138.07 21.55 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.568 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.481 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -74.99 -35.75 2.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.498 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -52.58 -33.9 42.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.761 HG13 ' HB2' ' A' ' 86' ' ' ALA . 20.4 t -83.79 -57.58 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 27' ' ' PRO . 5.1 mt -43.8 -36.68 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.78 ' O ' HD12 ' A' ' 35' ' ' ILE . 6.8 tttt -46.64 -33.03 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.876 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -87.86 -47.34 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.471 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 3.1 mt-10 -55.31 -31.55 61.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.2 -40.47 96.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.78 HD12 ' O ' ' A' ' 31' ' ' LYS . 4.1 mt -78.65 -47.79 23.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.626 HD21 ' HA2' ' A' ' 90' ' ' GLY . 14.0 mt -46.45 -42.87 15.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -56.83 -50.58 71.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -59.78 -44.63 93.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.585 HG11 HG22 ' A' ' 94' ' ' VAL . 98.9 t -48.03 -48.28 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -39.65 -50.6 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.12 -43.67 88.62 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.794 HD22 ' HB3' ' A' ' 64' ' ' TYR . 24.6 mt -67.43 -29.66 69.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.548 ' OE1' HG23 ' A' ' 97' ' ' ILE . 3.4 tp10 -77.84 -28.0 50.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.251 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -65.73 -33.25 75.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -71.22 -38.37 72.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.607 HG22 ' HB2' ' A' ' 101' ' ' LEU . 22.2 t -65.78 -42.05 91.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.35 -20.81 64.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.18 54.64 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.967 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' A' ' 50' ' ' GLU . 0.9 OUTLIER -102.55 160.24 14.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.578 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 22.3 mt-10 -136.64 116.52 13.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.245 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.55 -179.33 25.48 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.919 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -109.71 -167.39 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 0.778 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.436 ' HG2' ' CE2' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -83.64 7.63 16.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -115.58 -32.11 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.91 153.07 2.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.423 ' HA ' HD12 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -68.62 -49.45 59.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.83 -46.32 7.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.467 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 41.9 t80 -59.43 -42.08 91.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 56' ' ' LYS . 35.6 mt -63.5 -39.57 94.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.51 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 3.2 mtp -57.66 -51.02 71.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.428 HG22 ' CD1' ' A' ' 65' ' ' LEU . 20.9 mt -63.39 -38.52 82.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -56.7 -59.86 4.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 5.4 pt-20 -61.47 -44.77 96.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.794 ' HB3' HD22 ' A' ' 42' ' ' LEU . 1.9 m-85 -54.18 -44.49 71.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.655 ' HB3' HD21 ' A' ' 98' ' ' LEU . 13.9 mt -60.05 -64.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.855 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.5 m -48.41 -44.47 35.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.422 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -40.31 -42.76 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.727 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 9.9 mm-40 -69.31 -44.03 72.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.855 HD12 ' HA ' ' A' ' 66' ' ' THR . 11.6 mt -48.12 -49.26 32.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -56.25 -16.97 6.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.727 ' HB3' ' O ' ' A' ' 68' ' ' GLU . . . -82.3 -18.71 41.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.547 ' HG ' HG12 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -75.34 -61.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.457 ' HA ' ' NH2' ' A' ' 87' ' ' ARG . 3.8 t70 -50.89 -44.95 59.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.42 -27.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.415 ' N ' ' C ' ' A' ' 73' ' ' ASP . 59.0 t -73.29 132.01 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.5 102.22 46.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -24.0 13.24 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.545 1.813 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 74.39 -64.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.307 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.54 36.8 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.03 149.37 28.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.83 -48.94 7.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -50.82 -27.86 8.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.0 t -90.66 -54.56 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -45.44 -35.18 3.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.245 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -73.75 -59.6 2.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.876 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -39.13 -46.38 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.457 ' NH2' ' HA ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -57.56 -71.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.91 -52.09 15.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.6 -40.54 79.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.626 ' HA2' HD21 ' A' ' 36' ' ' LEU . . . -64.74 -65.23 3.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.568 ' HA ' HD23 ' A' ' 69' ' ' LEU . 27.7 m -45.22 -46.18 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -49.57 -57.66 6.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.706 ' CE ' HD11 ' A' ' 97' ' ' ILE . 5.0 tptm -37.89 -52.58 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.848 ' HA ' HD12 ' A' ' 97' ' ' ILE . 3.5 t -61.2 -53.6 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -40.8 -58.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.4 m -49.82 -45.64 50.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 94' ' ' VAL . 16.2 mt -59.78 -36.8 68.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.655 HD21 ' HB3' ' A' ' 65' ' ' LEU . 2.6 mm? -65.3 -55.77 16.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.48 -19.34 36.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 104' ' ' LYS . 4.8 ttpp -76.43 -72.87 0.31 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.607 ' HB2' HG22 ' A' ' 46' ' ' VAL . 8.1 tp -41.68 -46.48 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.76 -44.26 77.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 100' ' ' LYS . 4.0 mm-40 -93.28 9.53 35.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.561 ' HG3' ' N ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -102.05 -47.46 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.919 ' HB1' ' HA ' ' A' ' 52' ' ' LYS . . . -59.22 -52.44 65.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.2 t -90.61 1.87 56.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.959 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -66.98 -171.66 4.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 0.0 111.043 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -41.48 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.521 1.801 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 95.7 p -77.26 127.62 32.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.016 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.5 m -128.27 -58.61 1.19 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 110.033 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.458 1.099 . . . . 0.0 110.952 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 p -160.17 152.85 21.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 p -175.69 159.32 2.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.035 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.07 175.49 39.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 p -170.95 147.09 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 110.022 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.77 138.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.84 146.86 16.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.94 151.95 77.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 109.295 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.09 11.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.93 114.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.259 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 177.23 98.48 0.12 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 151.99 40.19 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.52 1.8 . . . . 0.0 111.039 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.01 169.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.52 160.16 52.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.85 12.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 111.042 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -133.52 179.15 6.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.59 149.23 38.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.71 71.51 0.08 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -119.57 164.76 15.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 0.801 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.55 171.59 8.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 61.7 132.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.8 m -149.15 92.36 4.33 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.404 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 171.84 17.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.554 1.818 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 127.05 10.36 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HE3' ' CD2' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -127.7 -140.64 0.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.492 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 59.1 t-80 -91.0 138.0 26.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.907 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.4 Cg_endo -74.98 -35.44 3.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.781 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.615 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -53.97 -34.45 52.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.806 HG13 ' HB2' ' A' ' 86' ' ' ALA . 21.7 t -75.97 -52.77 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.766 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.907 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.2 mt -47.85 -35.13 9.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.488 ' HG2' HG12 ' A' ' 75' ' ' VAL . 6.5 tttt -41.46 -40.34 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.65 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.9 OUTLIER -77.41 -46.03 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.443 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 3.2 mt-10 -56.0 -32.79 64.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.76 95.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.7 mt -73.21 -48.75 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 32' ' ' VAL . 4.5 mm? -51.52 -34.4 36.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -34.85 73.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -84.26 -44.24 14.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.753 HG22 ' HG3' ' A' ' 68' ' ' GLU . 75.0 t -43.63 -47.13 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -45.18 -47.66 12.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.24 -31.42 62.33 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 64' ' ' TYR . 85.4 mt -79.13 -31.01 44.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.52 ' HG2' HG23 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -65.12 -36.76 85.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -60.75 -40.41 92.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -60.85 -50.09 74.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.864 HG22 HD13 ' A' ' 101' ' ' LEU . 24.2 t -59.21 -61.31 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.18 -25.46 5.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.7 p -118.06 35.98 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.026 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.459 ' CD1' ' HD3' ' A' ' 57' ' ' LYS . 76.7 t80 -100.28 165.68 11.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.454 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 1.9 pt-20 -163.86 120.11 1.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 154.85 -131.91 3.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.875 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -145.82 -169.58 3.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.777 . . . . 0.0 109.267 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.531 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 11.9 mttp -83.39 -13.39 55.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.9 -31.23 16.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.404 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.505 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 12.3 m-20 -55.89 148.1 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 59' ' ' LEU . 2.8 tmtm? -64.38 -46.06 84.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.459 ' HD3' ' CD1' ' A' ' 49' ' ' PHE . 11.7 ttmt -42.65 -31.83 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.531 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 86.7 t80 -80.52 -40.97 25.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 55' ' ' ASP . 8.5 mp -63.65 -52.13 62.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.642 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 3.5 ptm -57.29 -30.48 64.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 64' ' ' TYR . 41.2 mt -77.94 -62.39 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 61' ' ' ILE . 0.6 OUTLIER -36.68 -50.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.573 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -56.23 -46.57 79.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.642 ' CD2' ' O ' ' A' ' 60' ' ' MET . 16.7 m-30 -61.63 -46.58 89.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.785 ' HB3' HD21 ' A' ' 98' ' ' LEU . 3.9 mp -56.41 -72.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.8 m -44.35 -44.37 8.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.425 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 66' ' ' THR . 10.7 mttt -39.19 -47.32 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.753 ' HG3' HG22 ' A' ' 39' ' ' VAL . 4.9 mm-40 -59.59 -47.27 86.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -46.13 -57.93 4.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.9 mt -48.93 -41.87 35.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.85 -30.96 69.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.619 HD21 ' CD2' ' A' ' 36' ' ' LEU . 14.1 mt -72.65 -26.32 61.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.33 -29.92 15.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.6 t -53.24 -45.37 68.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.017 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.591 ' CG2' ' HD2' ' A' ' 87' ' ' ARG . 17.7 m -55.79 147.93 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.46 116.42 43.86 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.439 ' HG3' ' NH1' ' A' ' 87' ' ' ARG . 18.3 Cg_endo -75.0 -23.19 14.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 68.08 8.67 6.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 101.52 -6.27 55.25 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.71 102.74 1.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.47 -48.14 19.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.62 -51.59 8.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.615 HG13 ' O ' ' A' ' 28' ' ' GLY . 45.4 t -70.46 -59.45 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.449 ' HA ' ' NH1' ' A' ' 87' ' ' ARG . 5.6 mtt180 -38.9 -47.97 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -58.35 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.806 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -49.15 -52.72 24.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.813 ' O ' HG23 ' A' ' 91' ' ' VAL . 3.2 ttp-105 -49.03 -38.02 22.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -68.95 -67.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.36 -55.22 3.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.585 ' HA3' HD21 ' A' ' 36' ' ' LEU . . . -49.62 -46.17 38.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 87' ' ' ARG . 55.0 t -64.54 -47.13 90.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 0.766 . . . . 0.0 109.328 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.2 -30.82 68.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.478 ' HG2' HD12 ' A' ' 36' ' ' LEU . 4.5 tptm -67.44 -55.73 12.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.714 ' HA ' HD12 ' A' ' 97' ' ' ILE . 44.1 t -55.2 -50.96 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -45.78 -47.1 15.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.0 m -56.91 -31.2 64.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.714 HD12 ' HA ' ' A' ' 94' ' ' VAL . 38.5 mt -68.48 -38.15 78.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.785 HD21 ' HB3' ' A' ' 65' ' ' LEU . 4.3 mm? -64.4 -53.37 49.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -18.33 22.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.446 ' O ' ' CG ' ' A' ' 104' ' ' LYS . 24.0 ttpp -83.46 -59.19 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.864 HD13 HG22 ' A' ' 46' ' ' VAL . 40.8 tp -45.22 -53.83 7.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 101' ' ' LEU . 18.3 mt-10 -38.69 -69.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 107' ' ' GLY . 33.8 mt-30 -51.65 -43.35 62.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 2.3 mmpt? -50.96 -41.8 59.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.875 ' HB1' ' HA ' ' A' ' 52' ' ' LYS . . . -73.27 -45.75 53.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.7 m -69.66 -6.04 28.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 103' ' ' GLN . . . -63.02 -143.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 140.37 25.57 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.6 m -77.55 102.67 7.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.003 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.1 t -63.67 -56.34 16.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.531 1.145 . . . . 0.0 110.953 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.51 158.95 40.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 0.727 . . . . 0.0 110.006 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 m 68.16 130.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.5 -170.38 13.39 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.9 p -177.31 158.08 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -99.21 137.77 37.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.634 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . 81.26 113.71 0.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.882 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . . . 167.96 -55.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.882 ' HD3' ' HB3' ' A' ' 8' ' ' ALA . 18.2 Cg_endo -75.02 74.91 3.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.77 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -174.18 62.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -162.73 140.79 6.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -178.05 3.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 111.035 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.68 -179.88 4.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.28 152.71 71.51 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -172.61 1.3 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.46 178.19 5.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.42 166.09 10.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.007 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -141.02 57.44 0.58 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.53 1.144 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -167.21 159.2 12.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.13 117.76 34.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -177.51 126.99 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 m -156.76 93.39 2.37 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 172.5 16.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.035 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 126.78 10.14 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.77 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.484 ' HE2' ' CD2' ' A' ' 30' ' ' LEU . 1.1 pttm -135.01 -140.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 59.4 t-80 -89.97 138.1 27.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.602 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.853 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.5 Cg_endo -74.9 -36.2 2.78 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.5 1.79 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.53 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -52.94 -33.29 43.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.66 HG13 ' CB ' ' A' ' 86' ' ' ALA . 21.6 t -77.79 -56.67 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.8 mt -42.49 -36.25 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.62 ' O ' HD12 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -43.81 -31.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.617 HG13 ' O ' ' A' ' 29' ' ' VAL . 1.0 OUTLIER -85.48 -46.54 17.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.45 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 9.6 mt-10 -54.58 -38.61 66.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.2 70.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.62 HD12 ' O ' ' A' ' 31' ' ' LYS . 7.0 mt -83.57 -52.52 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 36' ' ' LEU . 9.3 mt -45.92 -37.2 6.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.82 -40.79 73.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' ILE . 4.0 mttt -75.69 -41.95 52.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 42' ' ' LEU . 50.5 t -43.8 -51.46 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -46.74 -45.15 19.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.9 -24.77 71.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.835 HD22 ' HB3' ' A' ' 64' ' ' TYR . 53.5 mt -91.16 -19.73 22.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -86.94 -33.52 19.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.422 ' CG ' ' N ' ' A' ' 45' ' ' ALA . 12.1 pt20 -59.29 -41.75 89.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -60.35 -37.89 82.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.871 HG22 ' HG ' ' A' ' 101' ' ' LEU . 11.6 t -61.2 -71.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.24 -26.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -119.52 41.29 3.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.03 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.586 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 35.4 t80 -99.24 171.87 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.586 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 1.9 mt-10 -159.5 138.88 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.45 -143.5 14.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.821 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -144.44 -176.24 4.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 109.273 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.618 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 4.7 mtmp? -72.19 -5.6 36.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.487 HG22 ' N ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -91.93 -52.9 4.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.487 ' N ' HG22 ' A' ' 54' ' ' THR . 46.7 m-20 -39.35 129.25 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -55.43 -21.76 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -58.29 -56.39 22.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.707 ' CE1' HD13 ' A' ' 101' ' ' LEU . 75.9 t80 -51.29 -46.96 62.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 59' ' ' LEU . 6.7 mp -56.12 -50.19 71.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.68 -58.9 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.746 HG22 HD13 ' A' ' 65' ' ' LEU . 76.4 mt -52.42 -58.96 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.367 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.444 ' CD ' ' C ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -37.79 -46.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.306 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.555 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -60.85 -53.19 60.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.835 ' HB3' HD22 ' A' ' 42' ' ' LEU . 33.0 m-85 -52.16 -42.7 63.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.746 HD13 HG22 ' A' ' 61' ' ' ILE . 9.4 mp -60.75 -73.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.537 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.1 m -39.86 -41.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.43 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -40.51 -45.97 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 12.2 mm-40 -66.67 -41.44 88.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.792 ' HG ' HG11 ' A' ' 94' ' ' VAL . 64.0 mt -52.53 -52.94 52.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.533 HD23 HG22 ' A' ' 66' ' ' THR . 4.4 mm? -57.68 -39.8 77.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.14 -26.17 64.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.55 ' HG ' HG21 ' A' ' 35' ' ' ILE . 8.4 mt -76.26 -23.43 54.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -92.7 -19.76 21.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.1 t -65.7 -44.13 87.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.547 ' CG2' ' HD2' ' A' ' 87' ' ' ARG . 6.4 m -59.01 144.68 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -112.46 117.41 47.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.606 ' HA ' HG11 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.01 -36.69 2.4 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.468 1.773 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 70.9 66.08 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 42.09 42.96 4.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.453 1.096 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -124.67 100.55 6.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 0.732 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.98 -39.46 41.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.4 -48.21 62.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.606 HG11 ' HA ' ' A' ' 77' ' ' PRO . 59.8 t -80.44 -51.79 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -48.54 -58.14 5.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.334 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -43.65 -56.73 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.273 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.66 ' CB ' HG13 ' A' ' 29' ' ' VAL . . . -50.45 -50.92 50.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.547 ' HD2' ' CG2' ' A' ' 75' ' ' VAL . 6.7 ttp180 -49.32 -46.46 46.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -69.62 -49.66 51.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -48.89 -42.76 37.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.95 -50.47 18.23 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.483 HG23 ' HB3' ' A' ' 72' ' ' LEU . 4.5 t -54.32 -35.59 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -67.98 -33.83 75.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -50.14 73.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.804 ' HA ' HD12 ' A' ' 97' ' ' ILE . 13.0 t -57.27 -49.0 81.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -46.65 -57.72 4.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.8 m -48.84 -48.52 41.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.36 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' A' ' 94' ' ' VAL . 11.6 mt -57.19 -42.65 80.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.666 HD22 HD23 ' A' ' 65' ' ' LEU . 2.3 mm? -59.99 -27.4 66.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -76.72 -32.47 57.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.452 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 7.1 mtpt -71.06 -56.47 6.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.871 ' HG ' HG22 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -38.17 -53.63 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 105' ' ' ALA . 0.6 OUTLIER -41.74 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -48.48 -35.23 12.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 0.5 OUTLIER -62.8 -31.1 72.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.821 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -105.66 31.06 5.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.5 t -142.57 13.56 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.005 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -108.51 -148.46 13.37 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 78.41 2.9 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 76.0 p -59.47 168.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.73 141.28 50.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 1.013 ' OG ' HG22 ' A' ' 54' ' ' THR . 22.8 m -90.5 -68.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.25 174.6 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.957 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.24 140.63 8.7 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.43 153.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.781 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 t -173.32 149.68 1.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.061 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.73 105.62 2.12 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.71 148.27 0.8 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -177.17 3.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.799 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.56 156.09 25.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -156.15 116.27 2.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -170.4 0.78 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.496 1.787 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.97 -161.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.13 65.1 5.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.4 ' O ' ' N ' ' A' ' 17' ' ' SER . 18.1 Cg_endo -75.01 -162.97 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' SER . 0.2 OUTLIER 70.16 -68.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -38.7 125.19 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 132.66 66.7 0.08 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -123.04 103.87 8.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.24 -178.04 3.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -42.0 137.7 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.2 m -142.01 102.88 5.72 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.435 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 173.83 13.81 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.02 19.8 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.56 ' HG3' HD21 ' A' ' 30' ' ' LEU . 12.9 pttm -129.14 -170.76 2.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.492 ' CE1' ' H ' ' A' ' 28' ' ' GLY . 63.3 t-80 -68.23 140.23 92.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.621 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.04 -34.85 3.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.777 . . . . 0.0 110.988 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.614 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -51.84 -27.67 21.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.542 1.152 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.535 HG13 ' HB2' ' A' ' 86' ' ' ALA . 41.0 t -86.13 -45.36 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.687 HD23 ' N ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -64.79 -28.6 69.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -49.84 -25.19 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 29' ' ' VAL . 0.8 OUTLIER -90.68 -45.39 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.435 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 7.2 mt-10 -53.17 -37.95 62.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.02 77.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.735 HG21 ' HB3' ' A' ' 71' ' ' ALA . 15.0 mt -79.95 -50.84 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.585 HD11 ' HA2' ' A' ' 90' ' ' GLY . 12.9 mt -46.52 -35.78 6.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.48 -45.27 13.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -64.5 -48.35 75.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.575 HG21 HG22 ' A' ' 94' ' ' VAL . 72.8 t -45.93 -37.56 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -55.53 -32.07 62.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.08 -25.96 72.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.755 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -90.65 -27.91 18.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 109.278 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -50.24 64.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -69.91 -31.74 69.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 110.326 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.48 -34.3 76.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.9 HG11 ' CG ' ' A' ' 100' ' ' LYS . 3.4 t -70.45 -67.11 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -43.72 -27.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 46' ' ' VAL . 44.5 t -120.83 45.18 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.023 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.6 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 23.0 t80 -102.33 171.69 7.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.6 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 2.6 mt-10 -156.5 138.78 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.35 -154.65 18.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.841 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 2.4 mmmm -130.69 -156.21 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.751 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.626 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 8.5 mttp -88.17 12.47 13.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 1.013 HG22 ' OG ' ' A' ' 2' ' ' SER . 24.5 p -114.11 -48.13 2.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.386 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -41.54 131.08 3.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.298 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -38.91 19.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 10.6 ttpt -45.03 -59.0 2.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.626 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 59.4 t80 -47.97 -46.97 33.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 59' ' ' LEU . 6.2 mp -59.63 -52.11 66.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.0 mtp -45.55 -65.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.486 HG22 ' CD1' ' A' ' 65' ' ' LEU . 38.2 mt -48.67 -53.9 5.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' GLU . 0.6 OUTLIER -41.5 -67.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -37.93 -63.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.71 ' CB ' HD11 ' A' ' 42' ' ' LEU . 36.5 m-85 -47.43 -62.93 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.486 ' CD1' HG22 ' A' ' 61' ' ' ILE . 53.9 mt -37.25 -58.13 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.809 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.6 m -61.08 -48.83 79.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -41.81 -49.8 4.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -61.6 -39.99 93.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.899 HD21 ' HB ' ' A' ' 94' ' ' VAL . 43.6 mt -56.78 -51.11 70.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.52 -34.93 62.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.735 ' HB3' HG21 ' A' ' 35' ' ' ILE . . . -71.93 -24.33 61.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 69' ' ' LEU . 14.3 mt -80.84 -28.06 36.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.23 -37.66 57.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -55.67 -19.1 9.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.148 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.0 t -80.89 123.0 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -112.75 106.62 55.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.403 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 18.5 Cg_endo -74.93 -35.64 3.09 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.516 1.798 . . . . 0.0 111.051 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 12.7 mt-10 79.12 -59.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.224 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 173.3 38.54 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.549 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 1.6 mmp_? -86.8 -18.75 30.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . 74.26 -64.29 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -49.49 -44.52 46.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 28' ' ' GLY . 26.4 t -74.56 -34.71 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -62.77 -39.96 95.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -61.64 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.535 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -43.59 -44.8 6.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -60.56 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -54.32 -27.83 38.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -83.42 -33.71 25.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.585 ' HA2' HD11 ' A' ' 36' ' ' LEU . . . -72.28 -50.47 16.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 19.0 m -61.94 -43.94 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 109.249 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -60.68 -39.89 90.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -51.97 -57.38 9.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.899 ' HB ' HD21 ' A' ' 69' ' ' LEU . 12.1 t -58.91 -56.11 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 94' ' ' VAL . 38.2 mt-30 -37.34 -60.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.4 m -50.98 -49.08 60.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 52.1 mt -59.54 -44.78 93.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.511 HD12 HD11 ' A' ' 69' ' ' LEU . 4.5 mt -56.41 -30.4 62.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.64 -26.84 25.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.311 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.9 ' CG ' HG11 ' A' ' 46' ' ' VAL . 3.8 ptmt -73.8 -36.02 64.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.816 HD13 HG22 ' A' ' 46' ' ' VAL . 47.6 tp -60.02 -54.9 40.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -38.65 -53.67 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.47 -42.87 83.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.442 ' HG3' HG13 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -60.81 -33.14 72.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.841 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -102.0 36.35 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.59 3.19 5.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 169.6 -120.82 0.89 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 158.2 42.41 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.2 p 176.15 119.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 0.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.62 165.93 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 179.955 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -173.49 141.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.988 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.1 142.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.999 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.22 156.24 7.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 110.957 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.47 125.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.36 171.28 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.09 133.09 1.44 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.82 94.01 0.24 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.535 0.785 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.405 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 18.3 Cg_endo -75.02 178.81 6.78 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.803 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 179.78 161.06 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 179.84 72.63 0.16 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.52 35.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . -170.47 138.08 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 13' ' ' ALA . . . 177.65 120.64 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 155.41 42.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.525 1.803 . . . . 0.0 110.982 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.07 106.43 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.37 151.37 1.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.992 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.29 68.17 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -141.5 143.3 33.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 19' ' ' GLU . . . -179.58 171.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -89.14 140.21 29.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 0.4 OUTLIER -174.89 143.48 0.79 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 18.2 Cg_endo -75.04 169.45 22.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.23 11.3 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.538 1.81 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.21 -136.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.481 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.7 t-80 -101.48 138.27 19.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.647 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.759 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.06 -36.26 2.62 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.481 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -53.46 -38.8 58.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.973 HG13 ' HB2' ' A' ' 86' ' ' ALA . 55.5 t -72.07 -58.21 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.6 mt -42.12 -33.39 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -37.42 -43.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.769 HG12 HH22 ' A' ' 87' ' ' ARG . 0.9 OUTLIER -78.24 -45.31 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.7 mt-10 -54.81 -35.3 63.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -36.11 74.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.501 HD13 ' O ' ' A' ' 71' ' ' ALA . 9.6 mt -82.97 -50.09 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.678 HD22 ' HG2' ' A' ' 93' ' ' LYS . 11.5 mt -41.04 -50.49 3.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -41.0 -40.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' ILE . 20.4 mttm -74.52 -43.3 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.621 HG11 HG22 ' A' ' 94' ' ' VAL . 73.7 t -48.9 -49.64 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -41.25 -44.88 2.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.259 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.73 -40.56 98.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 64' ' ' TYR . 82.4 mt -70.76 -23.66 62.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.479 ' HG2' ' CG2' ' A' ' 97' ' ' ILE . 1.0 OUTLIER -73.49 -54.35 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.357 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -45.23 -41.65 8.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.71 85.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.842 HG22 HD13 ' A' ' 101' ' ' LEU . 14.2 t -65.73 -65.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -48.16 -24.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -118.92 36.56 4.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.946 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.57 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 61.0 t80 -98.61 172.34 7.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.57 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 4.1 mt-10 -167.01 128.15 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 105' ' ' ALA . . . 139.56 -148.39 19.98 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.821 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 2.2 mmtm -121.53 -157.54 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 3.3 mttt -103.69 27.72 7.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ASP . 56.5 p -122.5 -44.02 2.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.388 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 52' ' ' LYS . 1.3 m-20 -40.49 134.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -32.52 31.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -58.5 -50.68 72.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 91.0 t80 -51.88 -47.65 64.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 59' ' ' LEU . 7.0 mp -57.42 -53.34 59.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -42.52 -56.59 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.632 HG22 HD22 ' A' ' 101' ' ' LEU . 46.9 mt -58.99 -41.35 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -53.46 -60.38 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 2.3 pt-20 -61.19 -43.76 98.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.614 ' HB3' HD22 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -55.68 -40.57 72.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.3 mt -64.26 -48.27 76.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' LEU . 3.8 m -59.98 -45.91 91.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 66' ' ' THR . 25.2 mttp -40.07 -40.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.475 ' HG3' HG22 ' A' ' 39' ' ' VAL . 19.9 mm-40 -72.23 -44.81 62.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' THR . 52.6 mt -44.9 -54.76 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.2 mt -54.37 -41.36 69.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.501 ' O ' HD13 ' A' ' 35' ' ' ILE . . . -69.54 -19.66 63.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.452 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 22.9 mt -99.18 5.16 46.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.425 ' C ' ' N ' ' A' ' 75' ' ' VAL . 14.1 t0 -122.52 -38.87 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -13.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.042 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.717 ' HB ' ' CZ ' ' A' ' 87' ' ' ARG . 54.6 t -82.76 128.34 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -120.79 108.57 36.86 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.529 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 18.0 Cg_endo -75.02 -58.82 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.472 1.775 . . . . 0.0 110.945 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 77' ' ' PRO . 0.5 OUTLIER 33.98 89.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 134.45 -61.12 0.64 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -93.59 138.69 31.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.61 -52.46 5.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.05 -38.44 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.529 ' CG1' ' HB3' ' A' ' 77' ' ' PRO . 40.1 t -66.99 -57.79 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.496 ' HG2' ' CG ' ' A' ' 77' ' ' PRO . 4.3 mtt180 -45.25 -49.64 12.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.18 -63.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.973 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -42.01 -51.82 4.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.769 HH22 HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -40.3 -69.82 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -20.96 4.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -79.31 -72.73 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.468 ' HA2' HD11 ' A' ' 36' ' ' LEU . . . -37.42 -62.86 0.88 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.562 HG23 ' N ' ' A' ' 92' ' ' ARG . 17.8 m -47.48 -54.27 3.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.562 ' N ' HG23 ' A' ' 91' ' ' VAL . 0.5 OUTLIER -47.02 -55.65 7.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.678 ' HG2' HD22 ' A' ' 36' ' ' LEU . 23.5 tptt -43.94 -58.82 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.621 HG22 HG11 ' A' ' 39' ' ' VAL . 95.0 t -55.6 -56.66 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 94' ' ' VAL . 68.9 mt-30 -37.47 -60.82 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.7 m -48.39 -47.8 37.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.373 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.479 ' CG2' ' HG2' ' A' ' 43' ' ' GLU . 46.6 mt -61.79 -35.36 67.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.424 ' CD1' HD11 ' A' ' 69' ' ' LEU . 6.0 mt -66.91 -31.74 72.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -86.4 -25.51 25.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.836 ' CG ' HG11 ' A' ' 46' ' ' VAL . 2.7 ptmt -74.82 -37.68 62.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.842 HD13 HG22 ' A' ' 46' ' ' VAL . 52.2 tp -59.01 -57.56 12.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.97 -52.8 8.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -57.76 -50.22 73.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 1.1 mmpt? -41.36 -63.99 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.821 ' HB1' ' HA ' ' A' ' 52' ' ' LYS . . . -38.48 -62.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 105' ' ' ALA . 0.3 OUTLIER 84.43 -146.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.002 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -156.06 -126.26 0.95 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 65.23 6.1 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 80.1 p -122.87 152.35 40.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 95.2 p -174.18 126.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.89 124.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 110.034 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -167.33 163.96 15.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.17 135.4 5.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.41 172.93 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 0.746 . . . . 0.0 109.975 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t 62.3 152.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.045 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.86 142.35 10.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.437 1.085 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.595 ' HB1' ' HD2' ' A' ' 9' ' ' PRO . . . -177.5 168.24 1.14 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.595 ' HD2' ' HB1' ' A' ' 8' ' ' ALA . 18.1 Cg_endo -74.96 150.97 39.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.39 178.01 4.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.94 127.59 4.66 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.74 38.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.596 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . -176.23 158.81 1.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.858 ' HB3' ' HD3' ' A' ' 15' ' ' PRO . . . 169.53 -55.31 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.858 ' HD3' ' HB3' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -74.94 133.39 16.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.491 1.785 . . . . 0.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -168.88 117.87 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t 57.7 172.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.74 -81.18 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 57.29 169.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.06 10.36 5.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -132.37 157.77 43.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.34 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.5 m -156.76 93.3 2.38 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.24 18.69 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.434 1.755 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 130.51 13.38 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HE2' ' CD2' ' A' ' 30' ' ' LEU . 7.7 pttt -128.19 -140.55 0.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.415 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 61.8 t-80 -87.44 138.62 31.91 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.627 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.758 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.4 Cg_endo -74.99 -36.06 2.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.77 . . . . 0.0 110.987 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.415 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -55.62 -32.75 58.62 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.009 HG13 ' HB2' ' A' ' 86' ' ' ALA . 62.6 t -77.45 -56.83 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.773 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.9 mt -43.35 -35.92 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -48.78 -37.42 19.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.973 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.9 OUTLIER -76.73 -48.97 24.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.481 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 2.4 mm-40 -52.46 -47.35 66.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.51 -30.15 68.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.737 HG23 ' OE1' ' A' ' 68' ' ' GLU . 89.7 mt -80.77 -53.4 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.896 HD21 HD21 ' A' ' 72' ' ' LEU . 3.9 mm? -63.24 -16.45 60.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.4 tt0 -60.56 -35.13 75.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 39' ' ' VAL . 0.5 OUTLIER -73.84 -64.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.92 ' HA ' HD12 ' A' ' 42' ' ' LEU . 3.0 p -37.06 -49.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -41.55 -57.12 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.7 -34.44 56.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.92 HD12 ' HA ' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -81.56 -19.15 42.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.302 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.798 ' HB2' HD13 ' A' ' 97' ' ' ILE . 25.7 tt0 -79.94 -30.8 39.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -70.22 -31.72 69.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -71.02 -28.19 64.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.812 HG11 ' CG ' ' A' ' 100' ' ' LYS . 3.4 t -63.14 -53.61 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -57.96 -19.51 30.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.35 31.13 5.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.557 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 1.4 t80 -104.17 167.33 9.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.557 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 8.5 mt-10 -157.14 137.85 13.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 146.36 -146.33 16.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.848 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -140.72 -169.53 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.754 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.631 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 3.7 mttp -82.68 6.87 16.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.8 -35.97 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.54 126.31 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.4 tptt -54.48 -25.4 25.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -64.48 -47.63 78.26 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.944 ' CE1' HD13 ' A' ' 101' ' ' LEU . 62.1 t80 -55.52 -47.81 75.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 59' ' ' LEU . 7.5 mp -51.83 -50.84 60.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.546 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 9.9 mtp -47.09 -51.4 17.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.7 mt -67.13 -49.37 73.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -44.2 -65.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.268 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 5.3 pt-20 -55.85 -45.51 78.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.77 ' HB3' HD13 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -51.82 -36.71 48.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.608 HD23 HG23 ' A' ' 39' ' ' VAL . 15.8 mt -70.45 -73.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 69' ' ' LEU . 1.5 m -38.28 -35.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.44 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER -39.06 -46.53 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.737 ' OE1' HG23 ' A' ' 35' ' ' ILE . 15.3 mm-40 -66.88 -41.52 87.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.579 HD12 ' CG1' ' A' ' 94' ' ' VAL . 0.0 OUTLIER -46.15 -54.09 9.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.425 ' N ' HD22 ' A' ' 70' ' ' LEU . 1.8 mm? -58.68 -38.47 78.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.56 ' O ' HD13 ' A' ' 35' ' ' ILE . . . -70.02 -16.5 63.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.896 HD21 HD21 ' A' ' 36' ' ' LEU . 12.1 mt -88.24 -22.83 23.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -86.78 -40.67 14.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.57 -28.89 49.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.055 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.4 t -75.66 114.16 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -104.15 112.69 65.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 79' ' ' GLY . 18.4 Cg_endo -74.95 -22.99 14.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.534 1.807 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 68.58 -60.47 0.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 77' ' ' PRO . . . -171.27 35.43 0.16 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.907 ' NH1' HG21 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -111.62 122.07 46.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 82' ' ' ASP . . . -67.79 -56.13 10.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 81' ' ' ALA . 13.9 m-20 -38.16 -47.46 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.907 HG21 ' NH1' ' A' ' 80' ' ' ARG . 8.4 t -71.52 -60.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -41.78 -34.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.451 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -64.43 -71.75 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 1.009 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -41.91 -55.71 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -50.7 26.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -58.51 -47.51 83.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -61.68 -51.1 69.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.32 -50.28 56.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.7 t -55.66 -39.64 56.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -73.16 -29.79 63.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.616 ' HG2' HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -64.79 -65.95 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.579 ' CG1' HD12 ' A' ' 69' ' ' LEU . 11.9 t -47.9 -61.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.484 ' HG2' HD11 ' A' ' 69' ' ' LEU . 7.4 mm-40 -38.41 -59.32 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.8 m -44.81 -55.0 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.798 HD13 ' HB2' ' A' ' 43' ' ' GLU . 45.2 mt -50.92 -52.61 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 65' ' ' LEU . 2.4 mm? -47.87 -39.78 19.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.62 -28.66 61.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.812 ' CG ' HG11 ' A' ' 46' ' ' VAL . 1.2 ptmt -78.88 -38.98 36.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.944 HD13 ' CE1' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -59.05 -61.93 2.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 105' ' ' ALA . 50.7 mt-10 -37.52 -70.16 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 102' ' ' GLU . 52.6 mm-40 -38.0 -52.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 3.7 mmpt? -48.89 -50.04 36.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.848 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -64.79 -38.06 89.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.8 t -75.07 -0.57 19.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 149.87 127.11 1.48 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.573 1.171 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 175.49 11.16 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.5 m -147.15 119.39 8.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.25 119.3 2.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -152.63 114.18 4.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.791 . . . . 0.0 109.985 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 t 176.69 159.65 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . -162.47 32.05 0.31 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 0.3 OUTLIER 80.73 165.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 110.019 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.81 108.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.689 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . 73.75 170.69 21.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.804 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . . . 163.25 -52.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.542 0.789 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.804 ' HD3' ' HB3' ' A' ' 8' ' ' ALA . 18.4 Cg_endo -75.0 57.97 4.74 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 175.18 67.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -141.68 151.41 60.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -163.44 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.781 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . -155.59 123.24 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 13' ' ' ALA . . . 175.94 91.73 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.65 5.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.477 1.777 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -88.02 173.95 8.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 t -179.32 150.31 0.43 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.66 -84.38 0.05 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 62.33 106.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -174.23 -177.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -41.13 152.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.7 m -127.87 91.82 44.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.1 15.1 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.427 1.751 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.19 7.69 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.0 111.044 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.605 ' HE2' HD21 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -139.46 -128.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.288 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.48 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 62.9 t-80 -102.71 138.31 19.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.629 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.7 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.4 Cg_endo -74.97 -35.87 2.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.48 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -54.17 -33.99 52.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.942 HG13 ' HB2' ' A' ' 86' ' ' ALA . 89.2 t -77.27 -55.51 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.7 HD12 ' HA ' ' A' ' 27' ' ' PRO . 5.1 mt -46.5 -35.15 5.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -45.21 -33.0 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -83.09 -47.86 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.469 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 4.7 mt-10 -48.63 -39.8 25.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.82 -31.94 71.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.448 ' O ' HG13 ' A' ' 39' ' ' VAL . 57.5 mt -79.77 -59.36 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.773 HD13 HG21 ' A' ' 39' ' ' VAL . 2.7 mm? -47.97 -28.09 2.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -12.66 44.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.3 mtpp -112.38 -8.35 13.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.773 HG21 HD13 ' A' ' 36' ' ' LEU . 1.3 m -89.81 -44.28 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.42 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 7.5 mm-40 -46.83 -38.92 11.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.69 -27.91 73.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.152 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 39' ' ' VAL . 70.2 mt -85.6 -21.57 28.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -77.95 -40.0 40.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.46 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 12.8 pt20 -58.25 -41.97 85.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -62.41 -38.8 91.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.793 HG22 ' HG ' ' A' ' 101' ' ' LEU . 11.9 t -59.74 -71.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' VAL . 1.1 t0 -40.57 -29.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.452 ' N ' ' C ' ' A' ' 46' ' ' VAL . 82.2 p -123.66 47.74 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.003 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.678 ' CE1' ' HB2' ' A' ' 105' ' ' ALA . 3.1 t80 -106.48 153.5 22.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.47 131.27 27.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.94 -135.83 5.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.96 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -152.64 -171.88 4.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 0.779 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.612 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 4.1 mtmp? -86.91 -7.2 58.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.6 p -103.95 -18.01 14.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 110.386 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -66.02 154.21 40.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.411 ' HA ' HD12 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -73.07 -47.97 39.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -44.3 -41.64 6.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.733 ' CE1' HD13 ' A' ' 101' ' ' LEU . 74.9 t80 -63.47 -44.25 94.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 56' ' ' LYS . 27.8 mt -59.33 -34.0 71.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.455 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.2 mtp -61.29 -53.0 62.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.577 ' HB ' HD11 ' A' ' 101' ' ' LEU . 32.1 mt -65.75 -39.97 86.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -57.87 -53.77 54.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 3.9 pt-20 -64.71 -43.79 92.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.461 ' N ' ' CG ' ' A' ' 63' ' ' GLU . 1.8 m-85 -59.12 -30.22 67.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.82 HD21 HG21 ' A' ' 97' ' ' ILE . 20.5 mt -73.08 -65.26 0.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.7 m -44.13 -46.2 8.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.415 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -41.3 -42.01 2.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 37.9 mm-40 -70.54 -43.26 69.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.641 ' HA ' HD12 ' A' ' 72' ' ' LEU . 24.6 mt -48.38 -57.71 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -53.14 -34.5 57.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 68' ' ' GLU . . . -69.44 -24.77 63.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.647 HD21 ' CD2' ' A' ' 36' ' ' LEU . 22.6 mt -80.2 -51.63 8.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.424 ' HA ' ' NH2' ' A' ' 87' ' ' ARG . 0.2 OUTLIER -63.62 -12.94 37.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.6 t -75.0 -2.03 25.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.3 t -96.93 130.71 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -109.04 100.98 42.89 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.463 ' HB3' HG12 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -74.97 -21.47 15.9 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.481 1.78 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.61 -62.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -174.89 33.76 0.1 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.445 1.09 . . . . 0.0 111.028 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -102.62 118.82 37.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.773 . . . . 0.0 110.269 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.61 -58.83 6.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.1 -56.03 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.463 HG12 ' HB3' ' A' ' 77' ' ' PRO . 21.7 t -62.14 -53.73 43.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.9 mtt-85 -42.74 -51.17 5.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.349 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -58.53 -56.56 20.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.942 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -42.99 -56.19 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.424 ' NH2' ' HA ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -52.2 -52.61 51.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -58.51 -46.25 87.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.56 -46.85 86.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.719 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -53.81 -64.11 4.53 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.442 ' N ' HD13 ' A' ' 72' ' ' LEU . 16.8 m -53.67 -45.8 60.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.408 ' N ' HG23 ' A' ' 91' ' ' VAL . 1.2 ttt85 -57.74 -56.58 20.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.608 ' HG2' HD12 ' A' ' 36' ' ' LEU . 5.1 tptt -51.18 -32.06 22.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 90' ' ' GLY . 81.0 t -78.9 -54.95 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -40.36 -54.87 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.492 ' O ' ' CG ' ' A' ' 100' ' ' LYS . 2.0 m -44.24 -38.76 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.82 HG21 HD21 ' A' ' 65' ' ' LEU . 34.6 mt -61.05 -51.57 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.638 HD21 ' HB3' ' A' ' 65' ' ' LEU . 4.0 mm? -53.82 -47.66 70.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -34.0 75.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.237 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.67 ' HB2' HG11 ' A' ' 46' ' ' VAL . 7.8 mmmt -67.71 -58.56 4.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.793 ' HG ' HG22 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -40.57 -51.19 2.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 105' ' ' ALA . 2.5 mt-10 -41.39 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -48.23 -36.59 14.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.459 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -63.6 -31.67 72.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.96 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -107.53 39.74 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.5 m -140.59 11.17 2.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.957 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 51.58 -177.56 0.07 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 139.96 24.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.8 t -153.89 -67.16 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.75 -61.47 1.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.027 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -162.43 139.34 7.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 110.032 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.35 130.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.49 -160.63 19.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 t 57.78 99.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 t -151.73 81.67 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.964 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.21 106.56 0.29 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -168.55 92.05 0.61 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -58.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.53 158.0 2.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.157 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -138.84 82.52 20.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 1.42 7.75 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.537 1.809 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 65.68 176.33 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 40.71 89.61 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 61.68 5.7 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 111.052 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mttp 60.88 157.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 t 175.62 -72.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.41 ' C ' ' CG ' ' A' ' 19' ' ' GLU . . . -65.51 83.9 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' CG ' ' C ' ' A' ' 18' ' ' GLY . 2.4 pt-20 39.14 54.83 2.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.434 ' O ' ' CB ' ' A' ' 21' ' ' GLU . . . -103.44 9.53 37.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 3.3 tt0 82.16 150.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.403 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 0.4 OUTLIER 61.09 154.18 0.11 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 18.3 Cg_endo -74.97 169.08 23.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -171.52 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HA ' ' HE3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -82.7 158.5 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.497 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 66.2 t-80 -82.66 139.92 44.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.63 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.45 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.4 Cg_endo -74.95 -36.55 2.53 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.497 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -60.46 -29.54 69.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.604 HG13 ' CB ' ' A' ' 86' ' ' ALA . 91.5 t -82.66 -58.23 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 27' ' ' PRO . 5.4 mt -43.35 -35.72 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.25 -37.28 22.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 109.35 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.722 HG23 HD12 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -76.1 -43.67 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.35 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 37' ' ' GLU . 2.2 mt-10 -57.04 -41.28 78.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 37' ' ' GLU . . . -65.48 -40.39 93.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.57 HG22 ' HB3' ' A' ' 68' ' ' GLU . 24.4 mt -75.28 -25.11 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.759 HD11 ' HA3' ' A' ' 90' ' ' GLY . 31.1 mt -91.33 -10.99 39.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -68.43 -34.13 75.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -73.6 -58.22 3.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.836 ' HA ' HD12 ' A' ' 42' ' ' LEU . 2.8 p -41.83 -50.79 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.504 HE21 ' HB3' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -38.95 -48.51 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.94 -40.73 99.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.44 1.087 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -75.67 -21.13 57.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.278 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 39' ' ' VAL . 33.8 tt0 -74.24 -46.82 39.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -57.14 -29.94 64.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -69.85 -35.99 75.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.942 HG22 HD13 ' A' ' 101' ' ' LEU . 2.8 t -62.42 -67.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' VAL . 20.8 t0 -40.03 -30.25 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.44 ' N ' ' C ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -127.47 47.08 2.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.997 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.644 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 2.5 t80 -99.9 172.46 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.644 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 11.1 pt-20 -178.75 132.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.456 ' C ' ' HG2' ' A' ' 52' ' ' LYS . . . 152.78 -19.57 0.77 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.833 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 1.6 mmmt 85.39 -173.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.601 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 84.7 mttt -83.32 6.53 19.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.78 -26.82 12.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.422 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' HB2' ' C ' ' A' ' 51' ' ' GLY . 22.4 t0 -65.28 136.17 56.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -17.7 10.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -56.79 9.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.601 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 89.2 t80 -51.65 -46.6 63.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.9 mp -56.36 -50.6 71.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.43 -61.18 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.545 HG22 HD22 ' A' ' 101' ' ' LEU . 54.9 mt -45.25 -51.9 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -42.26 -72.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.342 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 4.9 pt-20 -54.22 -45.61 72.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.783 ' HB3' HD13 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -50.32 -33.55 20.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.682 HD23 HG23 ' A' ' 39' ' ' VAL . 9.9 mt -71.49 -47.66 54.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 69' ' ' LEU . 1.5 m -61.87 -38.49 88.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -35.21 -43.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.57 ' HB3' HG22 ' A' ' 35' ' ' ILE . 5.2 mm-40 -75.63 -46.16 33.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.959 HD21 ' HB ' ' A' ' 94' ' ' VAL . 60.6 mt -56.41 -48.67 76.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.847 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -61.3 -44.57 96.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.656 ' N ' HD12 ' A' ' 70' ' ' LEU . . . -72.94 -14.58 61.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.61 HD11 HD21 ' A' ' 36' ' ' LEU . 14.3 mt -84.44 -19.03 34.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -78.78 -22.39 46.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.51 -18.0 58.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.6 t -75.08 113.41 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -108.5 112.82 60.63 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -29.31 8.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.809 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 68.33 12.52 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.48 -29.84 4.4 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -45.41 118.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.51 -54.22 15.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.89 -33.61 7.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.431 HG22 HG23 ' A' ' 29' ' ' VAL . 55.9 t -85.95 -52.3 12.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -49.36 -38.13 27.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' A' ' 87' ' ' ARG . 1.3 tt0 -73.31 -61.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.604 ' CB ' HG13 ' A' ' 29' ' ' VAL . . . -39.91 -31.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.828 ' O ' HG22 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -73.5 -60.72 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -60.16 -33.84 72.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.19 -41.32 61.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.759 ' HA3' HD11 ' A' ' 36' ' ' LEU . . . -68.77 -61.21 4.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.446 1.092 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.828 HG22 ' O ' ' A' ' 87' ' ' ARG . 27.3 m -47.48 -38.81 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 93' ' ' LYS . 1.0 OUTLIER -57.66 -58.2 9.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.452 ' CG ' ' N ' ' A' ' 94' ' ' VAL . 0.0 OUTLIER -39.71 -51.19 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.234 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.959 ' HB ' HD21 ' A' ' 69' ' ' LEU . 3.6 t -64.31 -54.25 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 94' ' ' VAL . 48.6 mt-30 -36.97 -62.48 0.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 100' ' ' LYS . 2.8 m -53.98 -57.22 11.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 43.1 mt -48.81 -41.52 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.458 HD12 HD11 ' A' ' 69' ' ' LEU . 1.9 mt -59.79 -50.44 73.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -69.03 -23.57 64.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.518 ' HD3' HG12 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -72.88 -44.24 61.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.942 HD13 HG22 ' A' ' 46' ' ' VAL . 54.9 tp -44.92 -56.39 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 105' ' ' ALA . 31.5 mt-10 -38.13 -66.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -44.74 -36.95 3.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 101' ' ' LEU . 2.8 mmpt? -67.81 -37.87 82.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.833 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -93.46 29.73 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 m -134.28 8.62 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -168.66 159.76 33.01 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -50.21 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.4 t 63.09 164.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.5 m -63.04 155.73 26.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.008 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.54 128.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -134.52 143.72 47.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.12 154.76 6.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.37 -53.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 0.799 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.18 171.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.986 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.623 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . -88.59 -119.56 1.62 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . 168.73 89.63 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 109.255 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 158.21 42.08 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.88 139.85 30.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.51 97.53 0.4 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.416 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 18.1 Cg_endo -75.05 169.33 22.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 12' ' ' PRO . . . 179.5 -173.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.238 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.526 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -176.76 165.37 1.54 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.526 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.04 164.79 32.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.1 -27.59 11.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.96 -177.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.88 74.75 1.01 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.631 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 9.3 pt-20 -110.91 139.22 46.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.777 . . . . 0.0 110.262 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 19' ' ' GLU . . . 168.06 -163.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -38.29 136.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.13 118.76 6.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.81 15.65 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.773 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 122.15 7.0 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.507 1.793 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.33 -169.21 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.501 ' CG ' ' HD2' ' A' ' 27' ' ' PRO . 59.0 t-80 -72.63 141.43 82.54 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.571 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.501 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.07 -34.97 3.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.81 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.476 ' H ' ' CE1' ' A' ' 26' ' ' HIS . . . -51.18 -25.57 11.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.675 HG13 ' HB2' ' A' ' 86' ' ' ALA . 12.4 t -88.73 -47.19 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.753 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.631 HD23 ' N ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -61.73 -29.77 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.79 -33.8 37.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -82.57 -39.68 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.13 -45.63 75.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.28 93.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.723 HG23 ' OE1' ' A' ' 68' ' ' GLU . 67.6 mt -71.41 -41.7 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.714 HD21 HD11 ' A' ' 72' ' ' LEU . 77.0 mt -73.64 -14.0 61.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -34.27 77.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -74.2 -62.36 1.54 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.918 ' HA ' HD12 ' A' ' 42' ' ' LEU . 2.8 p -38.23 -47.34 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -41.85 -53.44 3.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.274 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.98 -29.77 75.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.918 HD12 ' HA ' ' A' ' 39' ' ' VAL . 3.1 mt -80.88 -20.2 42.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.496 ' OE2' ' CE ' ' A' ' 100' ' ' LYS . 4.6 tm-20 -69.8 -51.31 34.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -52.29 -33.42 42.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.38 -36.79 85.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.594 HG22 ' HB2' ' A' ' 101' ' ' LEU . 3.6 t -67.39 -66.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -43.17 -27.87 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -123.99 45.02 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.617 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 14.5 t80 -98.9 171.45 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.617 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 19.4 mt-10 -154.75 136.09 14.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 105' ' ' ALA . . . 135.61 -152.03 20.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.831 ' CA ' ' HB1' ' A' ' 105' ' ' ALA . 5.9 mmmt -132.02 -155.38 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.791 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.628 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 4.7 mtmp? -95.1 16.36 16.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' ASP . 58.9 p -122.06 -42.05 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' THR . 49.5 t0 -39.36 136.36 0.92 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -55.87 -27.94 54.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -62.69 -52.88 61.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.628 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 67.6 t80 -47.36 -45.78 25.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 59' ' ' LEU . 6.2 mp -66.22 -54.44 25.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.605 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 2.3 ttp -43.2 -40.5 3.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.491 HG22 ' CD2' ' A' ' 65' ' ' LEU . 33.1 mt -77.75 -53.13 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.439 ' CD ' ' C ' ' A' ' 62' ' ' GLU . 8.4 tm-20 -36.86 -46.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 3.6 pt-20 -70.3 -46.54 64.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.692 ' HB3' HD22 ' A' ' 42' ' ' LEU . 13.7 m-30 -50.81 -44.92 59.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.564 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -65.97 -77.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.633 ' OG1' HD11 ' A' ' 98' ' ' LEU . 1.2 m -35.74 -40.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.399 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -35.23 -50.69 0.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.723 ' OE1' HG23 ' A' ' 35' ' ' ILE . 7.0 mm-40 -69.43 -45.97 67.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.718 HD12 ' HB ' ' A' ' 94' ' ' VAL . 0.3 OUTLIER -42.45 -48.26 5.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.571 HD23 HG22 ' A' ' 66' ' ' THR . 3.8 mm? -67.49 -50.48 58.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.681 ' HB3' HG21 ' A' ' 35' ' ' ILE . . . -57.42 -18.9 20.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.714 HD11 HD21 ' A' ' 36' ' ' LEU . 56.3 mt -81.79 -25.47 35.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -87.54 -31.08 20.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.9 t -60.09 -17.92 43.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.429 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 77.9 t -80.82 128.13 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -109.01 103.38 52.04 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.03 -24.95 12.28 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 77.25 -64.12 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -171.69 32.17 0.13 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -99.53 123.63 43.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 0.801 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.92 -59.75 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -41.9 -36.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.428 ' CG1' ' HB3' ' A' ' 77' ' ' PRO . 39.8 t -82.19 -58.07 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -40.14 -37.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -67.3 -63.89 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.675 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -40.14 -56.21 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.429 ' NE ' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -49.09 -63.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.33 -57.27 4.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.06 -48.26 67.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.658 ' C ' HD13 ' A' ' 72' ' ' LEU . . . -56.18 -51.65 54.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.537 ' N ' HD13 ' A' ' 72' ' ' LEU . 25.2 t -58.53 -47.3 88.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -63.78 -34.3 77.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.28 -66.96 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.718 ' HB ' HD12 ' A' ' 69' ' ' LEU . 63.6 t -46.75 -55.06 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.355 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.488 ' CG ' HD11 ' A' ' 69' ' ' LEU . 15.2 mt-30 -38.9 -54.51 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.4 m -57.33 -42.13 81.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 94' ' ' VAL . 28.3 mt -66.25 -38.8 82.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.633 HD11 ' OG1' ' A' ' 66' ' ' THR . 8.5 mt -68.24 -36.96 80.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.82 -26.15 54.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.496 ' CE ' ' OE2' ' A' ' 43' ' ' GLU . 22.5 ttpt -70.86 -57.0 5.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.594 ' HB2' HG22 ' A' ' 46' ' ' VAL . 27.7 tp -41.35 -49.13 3.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -41.86 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 107' ' ' GLY . 8.1 mm100 -52.93 -33.92 52.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -61.6 -30.16 70.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.831 ' HB1' ' CA ' ' A' ' 52' ' ' LYS . . . -92.26 -42.26 9.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.7 t -79.46 3.97 16.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 103' ' ' GLN . . . -39.44 160.68 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -64.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.789 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.4 t -140.22 91.5 2.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.974 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.28 160.0 15.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -148.78 120.7 8.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 109.965 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.22 163.78 38.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.36 153.12 26.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.44 -61.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.935 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.19 -63.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.054 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.73 -169.59 35.66 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.0 158.23 5.2 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 156.63 42.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.452 1.764 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.567 ' HB1' ' HG2' ' A' ' 99' ' ' GLU . . . -135.33 171.92 13.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 1.1 tt0 -96.67 140.08 21.96 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 11' ' ' GLU . 18.5 Cg_endo -74.95 177.82 8.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.79 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.625 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . -109.16 -144.34 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.836 ' HB3' ' HD3' ' A' ' 15' ' ' PRO . . . 168.59 -54.57 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.836 ' HD3' ' HB3' ' A' ' 14' ' ' ALA . 18.1 Cg_endo -75.03 143.3 28.79 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.454 1.765 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -131.41 167.98 18.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.64 164.42 6.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -109.31 -68.53 0.61 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 53.12 89.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.279 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.29 10.34 7.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -112.74 153.19 28.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.9 m -145.33 92.01 5.7 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.477 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 18.2 Cg_endo -75.02 162.22 37.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.06 13.87 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.477 ' CE ' ' O ' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -160.61 -132.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.499 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.0 t-80 -82.94 139.09 42.85 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.62 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.674 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.01 -35.71 2.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.452 1.764 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.499 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -58.08 -34.56 73.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.665 HG13 ' HB2' ' A' ' 86' ' ' ALA . 48.6 t -76.88 -55.89 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 0.731 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 27' ' ' PRO . 5.2 mt -44.35 -35.43 2.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.467 ' HG2' HG12 ' A' ' 75' ' ' VAL . 3.9 tttt -41.08 -33.6 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.983 HG21 ' HB1' ' A' ' 86' ' ' ALA . 1.0 OUTLIER -88.13 -44.17 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.416 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 1.7 mt-10 -51.51 -35.87 42.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.75 -32.94 74.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 1.018 HG23 ' OE1' ' A' ' 68' ' ' GLU . 8.2 mt -82.5 -57.08 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.759 HD12 ' HG2' ' A' ' 93' ' ' LYS . 4.0 mm? -44.76 -36.9 3.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.46 -46.01 73.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -71.73 -45.96 60.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.82 HG21 HG22 ' A' ' 94' ' ' VAL . 72.0 t -44.36 -60.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -38.79 -45.98 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.29 -43.95 89.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.889 ' O ' HG13 ' A' ' 46' ' ' VAL . 30.9 mt -64.6 -53.32 49.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 0.74 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.478 ' O ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -55.71 -30.26 60.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -67.15 -28.94 68.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.12 -34.2 20.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.889 HG13 ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -72.99 -49.0 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.486 ' N ' ' CG2' ' A' ' 46' ' ' VAL . 6.5 t70 -50.38 -24.67 3.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.5 t -133.83 41.51 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.674 ' CD1' ' N ' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -94.68 168.62 10.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.956 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.674 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 2.1 mt-10 -149.17 133.9 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.253 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 138.77 -157.92 24.9 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.143 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.827 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.1 OUTLIER -133.5 -154.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.289 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.58 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 43.9 mttt -91.82 16.53 10.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.0 p -114.02 -42.96 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.353 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.45 121.76 6.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -44.55 36.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.65 -61.81 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.58 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 39.4 t80 -44.7 -49.86 10.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.433 ' N ' HD12 ' A' ' 59' ' ' LEU . 7.4 mp -52.91 -51.0 62.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.564 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.4 ttp -46.2 -45.94 17.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.762 HG22 HD13 ' A' ' 65' ' ' LEU . 38.5 mt -62.69 -66.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 61' ' ' ILE . 5.0 tm-20 -34.24 -62.95 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.55 -61.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.564 ' CD2' ' O ' ' A' ' 60' ' ' MET . 19.3 m-85 -51.62 -49.49 62.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.762 HD13 HG22 ' A' ' 61' ' ' ILE . 10.3 mp -47.64 -73.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' LEU . 3.1 m -50.73 -47.14 59.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.367 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -43.63 -38.74 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 1.018 ' OE1' HG23 ' A' ' 35' ' ' ILE . 67.4 mm-40 -72.72 -39.44 66.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.714 HD12 ' CG1' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -53.13 -52.28 59.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.413 ' N ' HD22 ' A' ' 70' ' ' LEU . 2.3 mm? -57.83 -28.9 64.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.58 -16.28 54.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.841 HD11 HG21 ' A' ' 94' ' ' VAL . 34.2 mt -83.69 -27.81 28.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -97.38 -17.09 19.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.2 t -64.31 -37.04 86.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.027 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.565 ' CG2' ' HD2' ' A' ' 87' ' ' ARG . 11.7 m -62.87 146.09 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -110.96 117.8 49.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.743 ' HA ' HG11 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -74.97 -25.83 11.54 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 65.84 10.11 6.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.239 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 109.79 -26.65 13.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -53.28 110.91 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.769 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 82' ' ' ASP . . . -54.4 -54.1 45.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 81' ' ' ALA . 3.8 m-20 -40.16 -50.32 2.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.743 HG11 ' HA ' ' A' ' 77' ' ' PRO . 61.6 t -61.92 -60.48 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.469 ' HG2' ' CG ' ' A' ' 77' ' ' PRO . 6.0 mtm105 -46.74 -46.54 20.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.361 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -43.52 -63.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.983 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -59.57 -50.5 73.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.565 ' HD2' ' CG2' ' A' ' 75' ' ' VAL . 0.5 OUTLIER -53.85 -21.1 6.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -96.8 -58.04 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.32 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -53.53 -47.96 69.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.403 ' HA3' HD21 ' A' ' 36' ' ' LEU . . . -54.66 -45.25 78.79 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.541 ' HA ' HD13 ' A' ' 72' ' ' LEU . 7.5 t -57.1 -42.88 80.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 0.771 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -66.73 -33.27 75.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.759 ' HG2' HD12 ' A' ' 36' ' ' LEU . 1.4 tptt -65.92 -51.45 58.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.841 HG21 HD11 ' A' ' 72' ' ' LEU . 86.9 t -61.61 -53.45 48.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -42.78 -59.01 2.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.127 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.4 m -41.42 -47.68 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.589 HD12 ' CG1' ' A' ' 39' ' ' VAL . 68.9 mt -58.07 -52.41 58.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.411 ' HG ' HD23 ' A' ' 65' ' ' LEU . 10.4 mt -48.25 -27.17 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.567 ' HG2' ' HB1' ' A' ' 10' ' ' ALA . 1.7 mt-10 -87.48 -27.79 22.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 97' ' ' ILE . 10.0 ptmt -78.05 -47.16 19.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.605 HD22 ' C ' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -64.13 -62.04 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.425 ' HA ' ' OH ' ' A' ' 58' ' ' TYR . 21.3 mt-10 -37.29 -41.11 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.42 ' CG ' ' HB3' ' A' ' 10' ' ' ALA . 1.8 mm-40 -71.44 -45.2 63.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.525 ' CE ' ' O ' ' A' ' 46' ' ' VAL . 5.4 mmmt -41.23 -48.41 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.827 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -65.2 -50.89 64.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.89 110.65 3.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 98.98 132.81 7.83 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.564 1.165 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 118.62 5.31 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.1 t -129.74 153.16 48.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -55.49 6.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.972 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.546 1.153 . . . . 0.0 111.05 -179.953 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 p -164.68 126.12 2.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -176.14 153.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.46 -177.19 29.99 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.33 164.5 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.789 . . . . 0.0 109.993 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.3 147.94 26.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.74 -164.66 10.1 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.82 104.9 26.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 92' ' ' ARG . 18.2 Cg_endo -74.97 172.24 16.74 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.542 1.812 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.93 171.95 3.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 50.85 92.65 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.429 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 18.1 Cg_endo -75.06 137.46 21.62 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.696 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . 179.07 135.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 13' ' ' ALA . . . 163.24 76.23 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.58 4.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.61 88.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.0 p -134.75 129.84 35.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.26 -77.09 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.83 88.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.763 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.39 145.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -41.98 163.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.1 m -126.35 90.87 49.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.383 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 172.86 15.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 123.83 8.21 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HE2' ' CD2' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -142.66 -126.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.49 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 55.3 t-80 -100.97 136.75 19.69 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.565 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.851 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.2 Cg_endo -75.03 -38.75 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.777 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.527 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -56.37 -25.42 48.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.738 HG13 ' CB ' ' A' ' 86' ' ' ALA . 42.8 t -85.94 -54.65 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 0.736 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.2 mt -44.11 -35.48 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -50.83 -36.1 35.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.088 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.7 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -86.29 -46.97 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.46 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 1.7 mt-10 -55.08 -34.26 63.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.79 78.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.7 mt -81.05 -46.41 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.689 HD21 ' HA2' ' A' ' 90' ' ' GLY . 6.6 mt -48.18 -49.81 31.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.42 -36.84 10.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -75.31 -44.74 43.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.822 HG21 HG22 ' A' ' 94' ' ' VAL . 76.8 t -44.63 -61.59 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 39' ' ' VAL . 8.8 mm100 -37.53 -49.52 1.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.91 -45.6 55.84 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.428 1.08 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.674 ' O ' HG13 ' A' ' 46' ' ' VAL . 16.5 mt -62.87 -55.86 22.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.545 ' O ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -55.06 -32.96 62.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.443 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 21.1 mt-30 -63.41 -27.98 69.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -83.37 -40.57 19.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.977 HG12 HG21 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -65.78 -51.54 60.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.53 ' N ' ' CG2' ' A' ' 46' ' ' VAL . 2.9 t70 -56.97 -22.95 42.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.2 t -125.24 32.67 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.964 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.582 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 5.8 t80 -98.72 168.54 10.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.582 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 1.3 tt0 -150.63 127.2 10.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.63 -154.9 25.84 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.669 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -132.48 -164.46 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.737 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.623 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 14.6 mttt -81.54 3.69 24.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.94 -26.92 10.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 58' ' ' TYR . 52.4 t0 -51.79 128.07 22.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.06 -33.45 65.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -59.64 -54.25 48.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.623 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 40.9 t80 -46.01 -50.34 15.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 mp -53.6 -52.56 59.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.553 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 7.0 mtp -48.19 -48.43 34.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.977 HG21 HG12 ' A' ' 46' ' ' VAL . 39.9 mt -66.13 -45.41 90.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.4 1.063 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.555 ' HA ' HD12 ' A' ' 65' ' ' LEU . 9.5 tm-20 -54.05 -55.58 26.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -60.74 -37.14 80.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.587 ' HB3' HD22 ' A' ' 42' ' ' LEU . 1.4 m-85 -61.9 -59.87 4.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.727 HD13 ' HA ' ' A' ' 98' ' ' LEU . 5.6 mt -38.43 -40.75 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 69' ' ' LEU . 50.5 m -64.19 -50.63 67.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.428 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.754 ' HA ' HD12 ' A' ' 70' ' ' LEU . 4.9 mttt -38.43 -38.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.598 ' CD ' HD11 ' A' ' 42' ' ' LEU . 22.2 mp0 -83.11 -39.8 20.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.699 HD12 ' CG1' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -63.4 -45.67 89.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.92 HD22 ' C ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -73.2 -33.62 65.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.837 ' N ' HD13 ' A' ' 70' ' ' LEU . . . -71.53 -6.77 43.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.0 mt -95.54 -20.7 18.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -81.49 -26.62 35.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 t -67.51 -13.64 62.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.424 HG12 ' HD2' ' A' ' 87' ' ' ARG . 53.6 t -80.51 130.25 36.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -119.81 113.03 34.75 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.413 ' O ' ' CD ' ' A' ' 80' ' ' ARG . 18.3 Cg_endo -74.98 -35.85 2.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 71.35 8.87 6.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 108.85 59.28 0.53 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.413 ' CD ' ' O ' ' A' ' 77' ' ' PRO . 2.0 mtt180 -140.41 104.17 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 85' ' ' GLN . . . -45.44 -55.7 5.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.67 -61.78 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 28' ' ' GLY . 42.4 t -60.01 -56.82 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 87' ' ' ARG . 28.4 mtt-85 -43.72 -69.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' ARG . 0.9 OUTLIER -38.62 -58.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.738 ' CB ' HG13 ' A' ' 29' ' ' VAL . . . -55.56 -41.99 74.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -58.56 -33.1 69.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.66 -52.99 5.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -42.3 -57.77 2.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.689 ' HA2' HD21 ' A' ' 36' ' ' LEU . . . -54.82 -57.27 18.7 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.426 ' O ' ' CG ' ' A' ' 95' ' ' GLN . 35.3 t -51.39 -41.13 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -61.49 -31.81 71.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.88 -55.8 6.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.822 HG22 HG21 ' A' ' 39' ' ' VAL . 10.8 t -55.14 -43.84 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.657 ' HG2' HD11 ' A' ' 69' ' ' LEU . 4.9 mm-40 -52.93 -56.79 13.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.6 m -52.44 -48.69 65.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.586 HD12 ' CG1' ' A' ' 39' ' ' VAL . 71.8 mt -55.0 -51.5 53.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.727 ' HA ' HD13 ' A' ' 65' ' ' LEU . 1.2 mt -47.15 -40.0 14.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.34 -25.87 58.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 97' ' ' ILE . 28.1 ttpt -70.57 -66.75 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.622 HD22 HG22 ' A' ' 61' ' ' ILE . 14.2 tp -37.37 -47.45 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.9 -66.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -56.14 -32.8 64.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.448 ' HD3' ' O ' ' A' ' 46' ' ' VAL . 1.5 mmpt? -61.53 -34.97 76.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.669 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -94.67 44.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 m -141.81 12.44 2.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -175.35 170.42 43.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -50.33 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.0 p -175.74 138.8 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.0 t -131.23 95.5 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.971 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.48 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.6 t-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.3 Cg_endo -75.03 -36.63 2.42 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.463 1.77 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.48 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -60.1 -26.72 63.9 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 32' ' ' VAL . 93.6 t -86.81 -58.47 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -43.35 -35.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.453 ' O ' HD12 ' A' ' 35' ' ' ILE . 6.9 mttt -53.85 -42.25 68.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.836 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -79.33 -46.31 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 68.6 mt-10 -54.6 -32.3 58.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.84 -43.73 87.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 31' ' ' LYS . 6.8 mt -69.93 -56.21 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.788 HD22 ' HD3' ' A' ' 93' ' ' LYS . 7.8 mt -43.09 -50.6 6.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.74 -39.39 3.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 35' ' ' ILE . 4.6 mttp -74.31 -48.04 30.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.534 HG11 HG22 ' A' ' 94' ' ' VAL . 95.3 t -42.02 -53.06 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -39.22 -41.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.87 -45.24 93.12 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.116 . . . . 0.0 111.053 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' ' 64' ' ' TYR . 82.1 mt -65.06 -26.85 68.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.74 -51.55 18.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -47.11 -35.34 6.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.272 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -66.62 -46.47 75.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.835 HG22 ' HG ' ' A' ' 101' ' ' LEU . 24.2 t -58.9 -61.96 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -46.66 -27.16 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.67 40.51 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.583 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 45.3 t80 -104.29 171.63 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.583 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 20.7 tt0 -170.14 132.11 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 153.9 -128.19 2.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.908 ' CA ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -149.12 -171.8 3.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.614 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 8.5 mttt -86.69 -11.6 50.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.1 p -97.7 -40.45 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.411 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -40.11 147.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.656 ' HA ' HD12 ' A' ' 59' ' ' LEU . 2.6 tmtt? -66.65 -49.12 67.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.13 -45.18 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 1.003 ' CE1' HD13 ' A' ' 101' ' ' LEU . 75.9 t80 -63.9 -42.34 97.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 56' ' ' LYS . 49.7 mt -56.06 -41.45 75.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.593 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 37.0 mtp -58.37 -52.51 65.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 111.045 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.3 mt -67.79 -42.85 86.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -54.01 -55.65 25.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 4.1 pt-20 -63.61 -43.91 95.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 60' ' ' MET . 1.8 m-85 -56.9 -42.14 79.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.501 HD13 ' HG ' ' A' ' 98' ' ' LEU . 53.9 mt -59.75 -57.38 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.9 m -55.6 -45.22 77.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -41.01 -42.6 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.367 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -70.73 -42.08 71.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.281 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.744 HD21 ' HB ' ' A' ' 94' ' ' VAL . 19.2 mt -49.66 -59.91 3.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 mt -50.11 -37.03 32.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.27 -28.21 63.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.456 HD12 HD23 ' A' ' 69' ' ' LEU . 68.9 mt -77.18 -34.93 56.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.72 -39.19 37.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.0 t -47.48 -24.4 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.954 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.451 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 76.3 t -70.6 130.37 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -108.4 103.77 51.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 79' ' ' GLY . 18.3 Cg_endo -75.04 -28.29 9.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.81 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 69.0 -59.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' PRO . . . -177.73 40.16 0.09 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.473 1.108 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.07 115.45 25.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.31 -54.71 43.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.9 -36.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.3 t -84.18 -56.85 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -46.3 -56.37 5.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.556 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 4.5 pt20 -49.5 -49.27 46.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.836 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -59.94 -46.62 88.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.451 ' NE ' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -58.16 -61.5 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -27.56 29.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -76.42 -59.98 2.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.67 ' HA2' HD21 ' A' ' 36' ' ' LEU . . . -51.88 -45.36 55.82 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.7 t -64.16 -48.94 83.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -59.73 -33.94 72.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.788 ' HD3' HD22 ' A' ' 36' ' ' LEU . 2.0 tttt -64.06 -68.32 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.744 ' HB ' HD21 ' A' ' 69' ' ' LEU . 47.2 t -42.8 -52.39 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -44.49 -55.11 5.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 21.3 m -53.08 -34.54 57.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 94' ' ' VAL . 31.2 mt -68.91 -42.16 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.501 ' HG ' HD13 ' A' ' 65' ' ' LEU . 5.7 mt -62.95 -48.08 80.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.89 -28.88 69.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -79.11 -46.0 18.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.003 HD13 ' CE1' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -49.12 -68.67 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 103' ' ' GLN . 8.4 pt-20 -39.31 -40.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 102' ' ' GLU . 4.2 mm-40 -70.42 -47.72 59.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.48 ' HG3' HG13 ' A' ' 46' ' ' VAL . 2.8 mmpt? -54.26 -34.87 61.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.908 ' HB1' ' CA ' ' A' ' 52' ' ' LYS . . . -74.83 -40.88 60.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.5 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.499 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.7 t-80 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 26' ' ' HIS . 18.3 Cg_endo -75.07 -35.04 3.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.946 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.499 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -50.61 -37.32 33.47 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.507 HG13 ' CB ' ' A' ' 86' ' ' ALA . 22.0 t -78.86 -59.36 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.4 mt -44.67 -35.68 2.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -48.48 -28.57 3.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.601 ' HA ' HD12 ' A' ' 35' ' ' ILE . 0.8 OUTLIER -93.58 -47.66 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.467 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 13.4 mt-10 -48.49 -35.23 12.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.21 73.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.608 HG23 ' OE1' ' A' ' 68' ' ' GLU . 9.8 mt -82.49 -55.54 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.698 HD11 ' HA2' ' A' ' 90' ' ' GLY . 4.5 mm? -42.09 -48.83 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.59 -39.91 17.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 41' ' ' GLY . 3.3 mtpp -76.29 -48.64 19.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.428 ' CG1' ' CD1' ' A' ' 97' ' ' ILE . 74.5 t -42.86 -49.67 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -47.51 -38.54 14.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.345 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . -67.08 -29.73 74.92 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 39' ' ' VAL . 85.8 mt -82.95 -20.6 34.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -74.06 -57.82 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.478 ' CG ' ' N ' ' A' ' 45' ' ' ALA . 14.5 pt20 -44.89 -46.08 10.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.478 ' N ' ' CG ' ' A' ' 44' ' ' GLN . . . -54.52 -45.05 73.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.629 HG22 ' HB2' ' A' ' 101' ' ' LEU . 29.2 t -62.43 -67.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.26 -27.35 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -124.49 45.36 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' ALA . 45.2 t80 -99.31 157.73 16.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -142.45 129.27 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.78 -161.09 24.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.97 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 3.3 mmtt -121.88 -164.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.747 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.583 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 8.8 mttp -82.18 4.91 21.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.8 p -104.94 -47.11 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.442 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.03 134.25 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.73 -37.93 60.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -49.12 -48.9 44.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.583 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 82.5 t80 -55.36 -46.03 76.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.528 ' N ' HD12 ' A' ' 59' ' ' LEU . 5.7 mp -62.43 -51.3 68.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.516 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 18.0 mtp -47.33 -53.73 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.85 -41.62 90.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -52.41 -60.22 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 4.1 pt-20 -60.82 -45.19 95.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.516 ' CD2' ' O ' ' A' ' 60' ' ' MET . 1.2 m-85 -52.57 -43.53 65.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.666 HD13 ' HG ' ' A' ' 98' ' ' LEU . 68.6 mt -61.16 -63.09 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.9 m -47.96 -42.35 27.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -46.01 -37.96 7.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.608 ' OE1' HG23 ' A' ' 35' ' ' ILE . 41.6 mm-40 -74.31 -32.75 62.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.694 HD21 ' HB ' ' A' ' 94' ' ' VAL . 66.9 mt -61.58 -54.98 35.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.408 HD23 HG22 ' A' ' 66' ' ' THR . 3.9 mm? -56.04 -34.62 66.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.44 -25.51 62.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.465 ' HB3' HG23 ' A' ' 91' ' ' VAL . 8.4 mt -82.65 -32.09 28.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.49 -30.55 64.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.2 t -64.19 -17.81 63.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 68.9 t -80.12 123.66 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.28 107.59 59.76 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.479 ' CG ' ' HG2' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.07 -19.95 17.19 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 77' ' ' PRO . 3.3 mt-10 68.52 -62.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' PRO . . . 179.72 36.23 0.07 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.427 ' NH1' ' CD2' ' A' ' 26' ' ' HIS . 2.5 mtp180 -114.85 115.8 27.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 0.734 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.86 -50.84 69.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -43.01 -32.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 85' ' ' GLN . 17.0 t -94.78 -62.82 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.479 ' HG2' ' CG ' ' A' ' 77' ' ' PRO . 2.6 mtt180 -37.72 -30.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.463 ' NE2' HH12 ' A' ' 88' ' ' ARG . 2.5 tp60 -75.25 -74.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.507 ' CB ' HG13 ' A' ' 29' ' ' VAL . . . -41.41 -29.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.445 ' N ' ' C ' ' A' ' 85' ' ' GLN . 2.9 ttt-85 -75.41 -63.92 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.463 HH12 ' NE2' ' A' ' 85' ' ' GLN . 0.4 OUTLIER -56.73 -26.2 56.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -75.1 -41.65 58.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.698 ' HA2' HD11 ' A' ' 36' ' ' LEU . . . -65.59 -48.39 68.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.465 HG23 ' HB3' ' A' ' 72' ' ' LEU . 16.4 t -60.14 -43.13 92.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.477 0.751 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -64.79 -33.12 75.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -64.54 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.694 ' HB ' HD21 ' A' ' 69' ' ' LEU . 21.2 t -46.37 -57.37 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -38.86 -59.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.3 m -52.21 -46.8 65.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.404 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 94' ' ' VAL . 67.0 mt -56.53 -45.11 82.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.666 ' HG ' HD13 ' A' ' 65' ' ' LEU . 6.3 mt -64.98 -31.3 72.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -77.03 -18.29 58.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -84.28 -53.69 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.629 ' HB2' HG22 ' A' ' 46' ' ' VAL . 15.3 tp -48.77 -49.85 36.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 101' ' ' LEU . 30.7 mt-10 -37.79 -58.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.26 -41.0 94.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.258 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -55.17 -31.45 61.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.97 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -97.26 27.73 4.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.488 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 49.0 t-80 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.529 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.2 Cg_endo -75.05 -34.44 3.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.488 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -55.43 -32.38 57.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.042 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.568 HG13 ' HB2' ' A' ' 86' ' ' ALA . 32.8 t -81.23 -58.6 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.6 mt -43.78 -36.04 2.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.562 ' O ' HD12 ' A' ' 35' ' ' ILE . 6.4 tttt -47.72 -33.04 6.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.649 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -87.52 -47.15 15.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.469 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 17.8 mt-10 -55.15 -41.89 72.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.4 -32.44 68.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 31' ' ' LYS . 20.8 mt -81.74 -54.6 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.517 HD21 ' HA2' ' A' ' 90' ' ' GLY . 7.7 mt -43.52 -38.81 3.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.2 -46.9 82.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -66.5 -40.26 89.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.849 HG22 ' CD ' ' A' ' 68' ' ' GLU . 73.0 t -50.43 -45.25 25.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -46.62 -36.66 7.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.49 -30.0 62.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.56 1.162 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.995 HD12 ' OE2' ' A' ' 68' ' ' GLU . 52.3 mt -85.4 -25.44 27.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.498 ' OE2' ' CE ' ' A' ' 100' ' ' LYS . 2.9 tm-20 -68.96 -46.69 67.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.43 ' CG ' ' N ' ' A' ' 45' ' ' ALA . 6.5 pt20 -56.03 -42.82 77.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' A' ' 44' ' ' GLN . . . -56.63 -36.63 69.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.956 HG22 ' HG ' ' A' ' 101' ' ' LEU . 9.9 t -68.87 -67.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -49.27 -22.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.0 t -118.86 37.19 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.58 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 58.7 t80 -97.89 172.16 7.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.58 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 4.7 pt-20 -165.18 125.59 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 147.22 -139.66 8.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.15 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.885 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -143.31 -172.69 3.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.614 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 2.9 mttp -83.26 3.35 31.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.9 p -109.28 -30.99 7.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.415 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -56.29 132.86 51.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -52.69 -39.32 61.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.25 -56.34 6.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.632 ' CD1' HD22 ' A' ' 101' ' ' LEU . 69.1 t80 -49.57 -49.18 47.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 59' ' ' LEU . 7.5 mp -56.42 -53.06 61.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.457 ' O ' ' CG ' ' A' ' 64' ' ' TYR . 3.9 ttp -46.92 -31.5 3.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' TYR . 97.2 mt -87.49 -54.96 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -39.33 -39.51 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 3.1 pt-20 -71.87 -44.18 64.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.573 ' HB3' HD22 ' A' ' 42' ' ' LEU . 17.0 m-30 -58.1 -40.43 81.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.484 HD21 HG22 ' A' ' 97' ' ' ILE . 6.7 mp -65.31 -78.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.739 ' HA ' HD12 ' A' ' 69' ' ' LEU . 1.8 m -36.98 -40.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.458 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.2 OUTLIER -37.45 -46.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.995 ' OE2' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -68.14 -50.04 57.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.739 HD12 ' HA ' ' A' ' 66' ' ' THR . 63.6 mt -42.88 -46.51 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.606 HD23 HG22 ' A' ' 66' ' ' THR . 4.4 mm? -63.45 -41.69 98.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' GLU . . . -67.91 -33.15 74.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.646 HD13 ' HA ' ' A' ' 91' ' ' VAL . 24.0 mt -67.12 -34.79 78.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -76.74 -36.74 56.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.4 t -55.06 -19.07 6.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.018 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.4 t -82.56 137.83 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -127.13 112.7 21.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.401 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.02 -33.28 4.68 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.466 1.772 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 67.11 21.68 10.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.45 -29.26 6.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -46.11 113.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.9 -52.08 47.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -48.67 -36.02 15.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.401 ' CG1' ' HB3' ' A' ' 77' ' ' PRO . 92.3 t -83.25 -51.17 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -50.57 -43.48 56.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -64.05 -60.81 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.649 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -41.59 -62.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -37.91 -52.72 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.285 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.71 -64.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -47.56 -56.49 7.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.517 ' HA2' HD21 ' A' ' 36' ' ' LEU . . . -49.72 -49.33 34.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.646 ' HA ' HD13 ' A' ' 72' ' ' LEU . 41.3 t -64.17 -56.65 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -49.97 -37.84 34.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.463 ' HB3' HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -56.13 -75.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.459 HG12 ' CD2' ' A' ' 98' ' ' LEU . 22.3 t -42.09 -45.49 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -48.8 -58.8 4.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.3 m -50.13 -38.28 38.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.388 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.625 HG22 HG21 ' A' ' 46' ' ' VAL . 13.2 mt -63.67 -46.46 94.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 98' ' ' LEU . 1.0 OUTLIER -53.68 -47.02 70.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.81 -24.86 66.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.498 ' CE ' ' OE2' ' A' ' 43' ' ' GLU . 13.0 ttpt -75.65 -58.92 2.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.956 ' HG ' HG22 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -39.84 -48.01 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.364 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 105' ' ' ALA . 3.6 mt-10 -47.84 -78.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.44 -38.34 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 2.8 mmpt? -57.7 -43.03 84.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.885 ' HB1' ' HA ' ' A' ' 52' ' ' LYS . . . -74.81 -44.63 48.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.092 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.407 ' HB2' ' CE ' ' A' ' 53' ' ' LYS . 23.3 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.959 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.485 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 55.7 t-80 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.611 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.2 Cg_endo -75.04 -33.84 4.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.485 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -56.12 -30.41 57.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.667 HG13 ' CB ' ' A' ' 86' ' ' ALA . 39.6 t -82.95 -57.63 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.4 mt -43.64 -34.82 1.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.545 ' O ' HD12 ' A' ' 35' ' ' ILE . 6.7 mttt -50.56 -36.77 36.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.77 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -79.72 -47.76 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.47 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 30.2 mt-10 -56.33 -34.38 66.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.25 -34.62 76.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.751 HG23 ' OE2' ' A' ' 68' ' ' GLU . 6.8 mt -81.61 -54.41 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 36' ' ' LEU . 7.2 mt -40.44 -49.94 2.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -44.78 19.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' ILE . 0.5 OUTLIER -68.2 -49.78 58.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.693 HG11 HG22 ' A' ' 94' ' ' VAL . 62.8 t -44.52 -52.96 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -41.82 -52.7 3.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.32 -38.93 63.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.4 mt -73.5 -36.63 65.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.708 ' HB2' HD13 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -67.82 -34.94 77.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.43 -30.42 70.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.64 -29.41 65.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 1.042 HG22 HD13 ' A' ' 101' ' ' LEU . 2.7 t -72.74 -60.95 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -40.82 -31.17 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.9 m -121.93 50.48 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.493 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 9.2 t80 -109.89 163.56 13.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.493 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 2.2 tt0 -147.9 134.19 19.51 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.53 -158.83 24.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.823 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 11.5 mmtt -123.32 -151.66 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.626 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 15.8 mttp -100.75 15.56 27.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.6 p -116.88 -39.82 3.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.619 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.2 m-20 -47.57 137.4 9.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -34.87 37.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' MET . 2.8 ttmt -51.1 -60.1 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.626 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 57.7 t80 -43.74 -52.49 6.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.701 ' H ' HD22 ' A' ' 59' ' ' LEU . 1.0 OUTLIER -66.58 -27.57 67.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.618 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.5 ttp -66.13 -42.55 88.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.686 HG22 HD13 ' A' ' 65' ' ' LEU . 50.6 mt -77.14 -58.32 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.777 ' OE1' HD11 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -37.29 -61.07 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.349 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.62 -64.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.618 ' CD2' ' O ' ' A' ' 60' ' ' MET . 22.0 m-85 -47.71 -47.01 30.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.792 HD23 HD22 ' A' ' 98' ' ' LEU . 10.8 mp -54.26 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' LEU . 9.1 m -46.51 -44.86 18.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -43.65 -39.66 3.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.751 ' OE2' HG23 ' A' ' 35' ' ' ILE . 8.3 mm-40 -70.46 -39.83 74.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.745 HD12 HG11 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -47.76 -57.0 6.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mt -52.29 -34.33 46.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 68' ' ' GLU . . . -73.93 -26.03 60.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.409 HD13 ' C ' ' A' ' 90' ' ' GLY . 52.4 mt -78.74 -32.35 46.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.86 -35.66 22.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.1 t -49.39 -23.33 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.462 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 70.5 t -70.9 136.25 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -114.94 102.82 54.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -22.05 15.18 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.18 -61.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -174.48 36.58 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.434 ' NE ' ' HE2' ' A' ' 26' ' ' HIS . 6.1 mmt180 -102.3 143.48 32.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.39 -57.92 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.09 -33.13 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.457 HG22 ' CG2' ' A' ' 29' ' ' VAL . 18.6 t -84.37 -57.02 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -40.51 -41.92 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -61.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.77 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -41.78 -56.4 2.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.462 ' NE ' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -47.3 -55.37 8.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -53.79 -61.59 2.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.9 -55.44 11.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.593 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -46.8 -38.97 10.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.6 t -81.86 -33.33 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 92' ' ' ARG . 5.4 tpt180 -65.86 -33.12 75.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.417 ' HB3' HD21 ' A' ' 36' ' ' LEU . 37.7 tptt -66.63 -52.21 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.782 HG12 HD23 ' A' ' 98' ' ' LEU . 12.4 t -58.93 -56.38 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -38.58 -56.93 1.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.6 m -51.9 -49.64 62.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.383 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.708 HD13 ' HB2' ' A' ' 43' ' ' GLU . 26.0 mt -57.34 -43.75 82.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.792 HD22 HD23 ' A' ' 65' ' ' LEU . 2.6 mm? -55.83 -30.94 62.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -83.66 -27.56 29.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.817 ' CG ' HG11 ' A' ' 46' ' ' VAL . 2.8 ptmt -73.67 -44.88 55.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.042 HD13 HG22 ' A' ' 46' ' ' VAL . 46.3 tp -48.6 -58.33 4.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 105' ' ' ALA . 6.7 mt-10 -36.93 -66.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -45.43 -44.61 12.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -64.43 -34.63 78.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.823 ' HB1' ' O ' ' A' ' 52' ' ' LYS . . . -100.05 29.52 4.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 -179.951 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.454 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 54.1 t-80 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.563 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -74.99 -39.01 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.454 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -54.85 -27.22 43.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.426 ' O ' HG22 ' A' ' 32' ' ' VAL . 94.2 t -85.85 -59.08 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.0 mt -42.78 -33.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.52 ' O ' HD12 ' A' ' 35' ' ' ILE . 5.8 tttt -51.01 -36.99 42.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.62 HG21 ' HB1' ' A' ' 86' ' ' ALA . 1.0 OUTLIER -84.91 -48.17 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 39.3 mt-10 -52.78 -32.86 45.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.49 -38.86 88.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.52 HD12 ' O ' ' A' ' 31' ' ' LYS . 8.4 mt -76.37 -59.63 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.501 HD23 ' HA ' ' A' ' 36' ' ' LEU . 11.1 mt -40.29 -43.62 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -49.68 -46.86 50.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' ILE . 25.2 mtpt -70.03 -46.52 64.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.466 ' HA ' HD12 ' A' ' 42' ' ' LEU . 53.2 t -40.84 -55.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -38.92 -48.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.47 -46.54 92.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.742 HD22 ' HB3' ' A' ' 64' ' ' TYR . 8.5 mt -65.25 -24.51 67.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' VAL . 3.8 tm-20 -71.16 -53.27 15.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -43.33 -41.64 4.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.91 96.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.594 HG22 ' HB2' ' A' ' 101' ' ' LEU . 21.3 t -66.52 -50.75 64.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -60.82 -15.18 27.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.5 42.69 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.921 ' CE1' ' HB2' ' A' ' 105' ' ' ALA . 3.6 t80 -103.18 166.81 10.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.64 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 3.0 pt-20 -165.52 128.1 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 152.97 -135.35 4.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.861 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -143.21 -176.38 4.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.608 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 48.5 mttt -77.82 -11.47 59.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.8 p -92.48 -42.03 9.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.364 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -41.82 136.87 1.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 57' ' ' LYS . 23.4 tptt -54.43 -48.98 71.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' LYS . 1.3 tppt? -40.25 -61.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.608 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 89.1 t80 -42.51 -50.08 5.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.0 mp -57.43 -55.66 31.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.572 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.3 mtp -43.13 -48.95 6.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.9 mt -69.08 -43.23 81.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.4 ' CD ' ' C ' ' A' ' 62' ' ' GLU . 3.4 tm-20 -54.73 -53.57 53.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.341 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 2.8 pt-20 -64.01 -43.58 95.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.742 ' HB3' HD22 ' A' ' 42' ' ' LEU . 1.7 m-85 -58.34 -48.66 79.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.718 HD13 HD22 ' A' ' 98' ' ' LEU . 64.3 mt -54.05 -71.55 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.432 ' HA ' HD12 ' A' ' 69' ' ' LEU . 1.3 m -43.63 -42.92 5.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -38.92 -45.57 1.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.586 ' OE1' HD13 ' A' ' 42' ' ' LEU . 13.9 mp0 -68.1 -47.08 69.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.86 HD21 ' HB ' ' A' ' 94' ' ' VAL . 81.4 mt -41.82 -54.27 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 mt -53.19 -43.66 67.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' GLU . . . -66.2 -23.02 66.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.2 mt -85.36 -51.35 6.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.467 ' O ' ' NH2' ' A' ' 87' ' ' ARG . 0.2 OUTLIER -64.52 -21.97 66.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.4 t -70.72 -5.52 30.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.476 ' O ' ' CZ ' ' A' ' 87' ' ' ARG . 59.4 t -84.15 130.5 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -110.95 99.38 42.48 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 79' ' ' GLY . 18.4 Cg_endo -74.96 -28.38 9.3 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.464 1.77 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 77' ' ' PRO . 0.3 OUTLIER 68.94 -59.07 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 77' ' ' PRO . . . -176.08 43.83 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -117.85 97.78 6.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 82' ' ' ASP . . . -40.14 -57.47 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 81' ' ' ALA . 0.6 OUTLIER -39.64 -49.58 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.347 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 84' ' ' ARG . 13.9 t -76.24 -62.33 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' VAL . 25.8 mtp180 -36.79 -41.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ARG . 1.0 OUTLIER -71.0 -66.63 0.59 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.244 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.62 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -44.94 -59.1 2.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.476 ' CZ ' ' O ' ' A' ' 75' ' ' VAL . 49.7 ttt180 -48.13 -26.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' GLN . 1.2 mtt-85 -82.4 -61.95 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -50.89 -22.21 2.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.86 -67.37 2.0 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.516 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 14.8 m -56.59 -34.5 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -60.17 -44.43 95.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.435 ' CE ' HD11 ' A' ' 97' ' ' ILE . 3.5 tptt -53.47 -60.58 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.86 ' HB ' HD21 ' A' ' 69' ' ' LEU . 13.0 t -47.4 -54.93 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -42.23 -52.01 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.9 m -57.71 -41.39 81.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 94' ' ' VAL . 57.1 mt -61.89 -41.74 91.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.718 HD22 HD13 ' A' ' 65' ' ' LEU . 2.1 mm? -56.98 -51.38 69.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -54.28 -37.44 64.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 101' ' ' LEU . 4.8 mtpt -61.44 -71.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.719 HD11 ' CD2' ' A' ' 49' ' ' PHE . 31.4 tp -40.52 -53.02 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -38.36 -57.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -34.38 78.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 101' ' ' LEU . 28.8 mmmt -60.42 -57.61 12.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.921 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . . . -84.28 48.08 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.443 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 62.7 t-80 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.735 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.2 Cg_endo -75.02 -35.82 2.9 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.58 1.831 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.443 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -55.02 -36.65 61.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.531 HG13 ' CB ' ' A' ' 86' ' ' ALA . 39.6 t -74.77 -59.08 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 27' ' ' PRO . 5.2 mt -39.92 -35.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.613 ' HG2' HG12 ' A' ' 75' ' ' VAL . 1.6 tttt -42.36 -35.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.012 HG21 ' HB1' ' A' ' 86' ' ' ALA . 1.2 m -84.32 -43.68 17.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.411 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 2.4 mt-10 -53.41 -34.26 57.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.73 -33.44 75.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.791 HG22 ' HB3' ' A' ' 68' ' ' GLU . 13.1 mt -81.42 -54.72 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.088 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 36' ' ' LEU . 8.8 mt -43.14 -37.54 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -45.65 -41.99 10.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.488 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -69.46 -49.0 59.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.587 ' CG2' HG22 ' A' ' 94' ' ' VAL . 84.0 t -45.81 -37.55 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -55.9 -31.92 63.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . -74.75 -27.68 64.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.752 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -91.18 -30.71 16.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 0.735 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -66.52 -43.35 85.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -71.65 -28.87 64.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -72.51 -48.81 37.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.747 HG22 ' HG ' ' A' ' 101' ' ' LEU . 11.0 t -56.24 -59.44 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.78 -35.34 4.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.95 49.05 1.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.964 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 31.0 t80 -107.98 163.06 13.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 4.9 tt0 -156.38 132.61 9.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 152.91 -131.02 3.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.9 ' CA ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -154.5 -171.34 3.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.613 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 5.0 mtmt -90.81 2.89 55.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.7 p -114.11 -19.1 11.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.392 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.38 159.94 17.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -75.24 -54.02 7.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -40.53 -46.9 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 1.018 ' CE1' HD13 ' A' ' 101' ' ' LEU . 63.5 t80 -54.81 -46.95 74.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.26 -34.25 73.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.454 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.2 ttp -60.26 -48.48 81.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.8 mt -66.55 -44.48 90.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -50.75 -66.13 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.35 -58.92 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.693 ' CB ' HD11 ' A' ' 42' ' ' LEU . 14.0 m-85 -51.68 -61.54 2.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.561 ' HB3' HD21 ' A' ' 98' ' ' LEU . 55.7 mt -39.38 -63.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.778 ' HA ' HD12 ' A' ' 69' ' ' LEU . 3.4 m -57.89 -48.41 79.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 110.393 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' THR . 58.5 mttt -39.82 -48.65 2.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.791 ' HB3' HG22 ' A' ' 35' ' ' ILE . 5.8 mm-40 -63.98 -42.44 97.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.793 HD21 ' HB ' ' A' ' 94' ' ' VAL . 47.1 mt -52.38 -58.0 8.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.449 HD23 HG22 ' A' ' 66' ' ' THR . 4.2 mm? -47.36 -39.11 14.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.659 ' C ' HD13 ' A' ' 35' ' ' ILE . . . -73.02 -32.91 65.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' LEU . 18.5 mt -65.03 -30.71 71.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -94.54 -17.61 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.8 t -61.8 -39.81 93.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.648 HG22 ' HD2' ' A' ' 87' ' ' ARG . 4.7 m -61.88 143.91 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.3 118.2 46.14 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.59 ' HA ' HG11 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.02 -20.34 16.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.555 1.819 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.446 ' OE1' ' NH1' ' A' ' 80' ' ' ARG . 16.2 mt-10 75.91 -66.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -173.88 33.69 0.11 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.446 ' NH1' ' OE1' ' A' ' 78' ' ' GLU . 0.5 OUTLIER -114.6 157.97 22.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.44 -42.76 8.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 1.178 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.29 -42.1 60.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.59 HG11 ' HA ' ' A' ' 77' ' ' PRO . 30.7 t -69.47 -55.82 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 88' ' ' ARG . 59.3 mtp180 -52.85 -47.17 67.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -44.24 -61.86 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 1.012 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -61.39 -48.9 79.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.648 ' HD2' HG22 ' A' ' 75' ' ' VAL . 0.8 OUTLIER -56.8 -18.51 13.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 84' ' ' ARG . 1.5 ttt180 -100.68 -35.36 9.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -68.3 -64.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.408 ' C ' HD13 ' A' ' 72' ' ' LEU . . . -43.88 -31.81 2.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 87' ' ' ARG . 75.8 t -70.92 -52.58 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.99 -24.69 59.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.566 ' HE2' HD11 ' A' ' 97' ' ' ILE . 6.0 tptm -65.54 -66.4 0.55 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.793 ' HB ' HD21 ' A' ' 69' ' ' LEU . 15.0 t -46.15 -51.3 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -43.73 -50.42 7.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.5 m -58.83 -31.96 68.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.602 HG22 HG21 ' A' ' 46' ' ' VAL . 29.6 mt -71.22 -39.95 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.591 ' CD2' HG12 ' A' ' 94' ' ' VAL . 2.5 mm? -63.08 -48.79 77.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.23 -21.41 65.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.457 ' O ' ' CG ' ' A' ' 104' ' ' LYS . 15.7 ttpp -89.97 -48.7 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.018 HD13 ' CE1' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -42.2 -55.96 3.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 105' ' ' ALA . 5.3 mt-10 -46.64 -73.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -39.9 -45.63 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 1.4 mmpt? -54.89 -48.35 73.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.239 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.9 ' HB1' ' CA ' ' A' ' 52' ' ' LYS . . . -66.13 -39.28 89.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.453 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 64.3 t-80 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.591 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.0 -36.58 2.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.78 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.453 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -58.25 -34.02 72.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.549 1.156 . . . . 0.0 111.047 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.608 ' O ' HG13 ' A' ' 32' ' ' VAL . 82.6 t -76.3 -56.99 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 27' ' ' PRO . 7.2 mt -43.79 -36.54 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.483 ' O ' HD12 ' A' ' 35' ' ' ILE . 4.8 tttt -45.5 -29.51 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.797 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.9 OUTLIER -87.46 -46.59 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.457 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 6.3 mt-10 -56.21 -33.12 65.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.29 -32.53 72.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.824 HG21 ' HG ' ' A' ' 72' ' ' LEU . 20.6 mt -81.88 -54.62 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 36' ' ' LEU . 8.3 mt -43.86 -36.86 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -50.41 -38.3 42.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.505 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 25.6 mttt -72.93 -48.54 36.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.501 ' CG1' ' CD1' ' A' ' 97' ' ' ILE . 93.5 t -46.55 -36.68 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.178 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -57.54 -31.08 65.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 110.261 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.87 -25.44 69.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.698 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -94.22 -34.49 12.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.745 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.609 ' HB2' HD13 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -69.34 -39.6 78.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.255 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.31 -24.89 62.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -80.29 -39.5 28.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.473 HG22 HD13 ' A' ' 101' ' ' LEU . 10.9 t -62.78 -52.99 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -57.99 -19.3 29.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.46 16.73 15.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.763 ' CD2' HD12 ' A' ' 101' ' ' LEU . 43.6 t80 -94.16 138.98 31.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -138.27 21.27 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.43 ' HA3' ' CE1' ' A' ' 49' ' ' PHE . . . -82.14 -142.28 3.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.781 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.2 OUTLIER -147.81 -170.79 3.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.771 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.419 ' N ' ' HB1' ' A' ' 105' ' ' ALA . 8.4 mttt -84.74 7.15 21.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.5 p -114.12 -32.9 5.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -54.16 155.75 3.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.471 ' HA ' HD12 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -72.44 -43.55 63.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -46.19 -48.77 17.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.567 ' CE1' ' HG ' ' A' ' 101' ' ' LEU . 67.5 t80 -55.7 -41.2 73.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 56' ' ' LYS . 13.2 mt -69.26 -33.6 73.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.599 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 3.2 mtp -68.93 -45.48 70.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.657 HG22 HD22 ' A' ' 101' ' ' LEU . 47.3 mt -67.38 -31.46 53.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -70.53 -53.03 17.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.255 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 2.8 pt-20 -55.5 -44.75 76.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 60' ' ' MET . 21.2 m-85 -67.02 -60.8 2.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.503 HD22 HG13 ' A' ' 94' ' ' VAL . 34.8 mt -38.11 -50.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.2 m -65.05 -46.21 82.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.438 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 64' ' ' TYR . 25.1 mttp -45.19 -41.73 8.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.622 ' OE1' HG23 ' A' ' 35' ' ' ILE . 53.6 mm-40 -70.13 -33.59 72.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.911 HD21 ' HB ' ' A' ' 94' ' ' VAL . 30.8 mt -61.92 -58.34 8.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -51.43 -35.36 39.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.37 -26.3 61.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.824 ' HG ' HG21 ' A' ' 35' ' ' ILE . 36.1 mt -79.65 -28.63 40.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -78.02 -37.62 46.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -57.06 -17.33 9.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 75.6 t -82.63 121.25 35.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -113.94 111.89 47.84 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -22.92 14.2 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 73.74 -63.94 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -164.94 31.37 0.23 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -105.61 130.89 53.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 110.341 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.92 -43.25 18.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.13 -30.52 59.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.56 ' HA ' HG22 ' A' ' 29' ' ' VAL . 39.9 t -86.17 -48.24 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.26 -47.63 68.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.549 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 6.4 pt20 -56.92 -48.92 77.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.797 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -64.84 -44.45 89.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -43.65 97.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -60.02 -49.38 77.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER -62.32 -35.69 79.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.257 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.526 ' C ' HD13 ' A' ' 72' ' ' LEU . . . -52.29 -60.95 7.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.486 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 3.2 m -68.08 -48.74 73.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.738 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.456 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 0.2 OUTLIER -52.13 -35.88 49.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.494 ' CE ' HD11 ' A' ' 97' ' ' ILE . 6.2 tptm -63.22 -48.1 79.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.911 ' HB ' HD21 ' A' ' 69' ' ' LEU . 19.0 t -65.25 -57.77 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 94' ' ' VAL . 28.2 mt-30 -36.63 -44.65 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.3 m -67.03 -51.88 49.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.609 HD13 ' HB2' ' A' ' 43' ' ' GLU . 12.9 mt -57.58 -40.97 77.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.8 mt -58.76 -46.16 88.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -31.88 72.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.41 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 1.2 mtpt -65.63 -60.71 2.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.763 HD12 ' CD2' ' A' ' 49' ' ' PHE . 52.5 tp -40.56 -49.15 2.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -42.57 -70.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -60.01 -45.98 90.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -46.5 -40.31 12.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.781 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -63.98 -41.44 97.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.48 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 62.3 t-80 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.706 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.4 Cg_endo -75.02 -36.34 2.59 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.468 1.773 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.502 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -51.94 -34.53 38.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.82 HG13 ' CB ' ' A' ' 86' ' ' ALA . 31.3 t -79.54 -54.92 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.361 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 27' ' ' PRO . 6.0 mt -45.76 -36.86 5.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.38 -34.51 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.742 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.9 OUTLIER -83.84 -46.48 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.457 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 2.1 mt-10 -54.62 -36.07 64.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.22 -32.97 73.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.457 ' CG2' ' HB3' ' A' ' 68' ' ' GLU . 19.6 mt -85.29 -46.08 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.595 HD22 ' HG2' ' A' ' 93' ' ' LYS . 15.5 mt -49.71 -36.82 26.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -39.8 89.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.5 -35.04 60.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' LEU . 42.7 t -50.77 -46.48 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -46.21 -43.4 15.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.98 -28.13 72.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.717 HD22 ' HB3' ' A' ' 64' ' ' TYR . 65.9 mt -86.87 -22.1 25.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.498 ' HB2' HD13 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -86.15 -35.26 20.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.436 ' CG ' ' N ' ' A' ' 45' ' ' ALA . 11.0 pt20 -65.23 -43.78 90.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -58.71 -32.04 68.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.949 HG22 HD13 ' A' ' 101' ' ' LEU . 4.6 t -66.83 -61.31 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -48.08 -25.78 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.5 t -92.29 -28.49 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.609 ' CE2' ' HB2' ' A' ' 105' ' ' ALA . 49.2 t80 -65.47 151.9 45.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -154.84 22.34 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.53 -136.92 0.44 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.998 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.1 OUTLIER -143.79 -171.52 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.584 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 14.1 mttp -83.35 5.13 24.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -110.87 -50.08 2.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -41.82 138.63 1.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -58.59 -42.88 89.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.84 -56.99 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.584 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 63.3 t80 -50.07 -47.29 53.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 111.034 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 59' ' ' LEU . 7.3 mp -62.91 -52.8 61.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.605 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 2.2 ttp -45.71 -42.98 12.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.824 HG22 ' CD1' ' A' ' 65' ' ' LEU . 32.8 mt -77.46 -43.11 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -48.38 -44.4 34.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.469 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 2.4 pt-20 -72.12 -41.95 66.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.717 ' HB3' HD22 ' A' ' 42' ' ' LEU . 12.1 m-30 -56.53 -39.87 74.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.927 HD21 HG22 ' A' ' 97' ' ' ILE . 10.4 mp -62.16 -77.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.926 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.1 m -37.5 -42.9 0.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.409 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' THR . 17.9 mttp -39.73 -44.59 1.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.36 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.457 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 5.8 mm-40 -67.65 -45.02 76.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.926 HD12 ' HA ' ' A' ' 66' ' ' THR . 10.3 mt -46.78 -50.72 17.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 74' ' ' SER . 3.6 mm? -58.76 -38.35 78.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.71 -20.22 59.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.501 HD13 ' C ' ' A' ' 90' ' ' GLY . 33.1 mt -89.97 -25.83 20.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -98.95 -15.94 18.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' LEU . 13.9 t -66.1 -37.73 86.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.571 HG22 ' HD2' ' A' ' 87' ' ' ARG . 5.3 m -66.64 141.51 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -112.7 117.63 46.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.432 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.02 -22.03 15.2 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.01 32.27 21.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.9 -21.26 44.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -53.5 97.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 0.781 . . . . 0.0 110.335 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.75 -47.02 71.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.88 -43.56 63.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.581 ' HA ' HG22 ' A' ' 29' ' ' VAL . 64.6 t -74.2 -51.07 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.432 ' HG3' ' CG ' ' A' ' 77' ' ' PRO . 4.4 mtt180 -49.22 -48.3 45.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 89' ' ' ASP . 1.1 tt0 -51.19 -59.39 4.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.82 ' CB ' HG13 ' A' ' 29' ' ' VAL . . . -59.2 -36.34 75.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.571 ' HD2' HG22 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -64.03 -41.95 97.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -22.76 37.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 85' ' ' GLN . 41.1 t0 -79.03 -45.89 19.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.611 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -56.69 -47.81 82.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.524 ' HA ' HD23 ' A' ' 69' ' ' LEU . 34.7 m -60.32 -44.65 96.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.763 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 23.3 ttt-85 -56.28 -44.88 80.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 110.344 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.595 ' HG2' HD22 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -55.55 -47.77 75.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 90' ' ' GLY . 11.3 t -64.91 -53.19 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -40.56 -58.16 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 99' ' ' GLU . 3.1 m -50.46 -56.46 11.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.927 HG22 HD21 ' A' ' 65' ' ' LEU . 55.0 mt -47.51 -49.5 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.469 ' HG ' ' CD2' ' A' ' 65' ' ' LEU . 4.2 mt -55.84 -27.97 54.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 96' ' ' THR . 2.8 tt0 -82.73 -28.36 30.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.87 ' CG ' HG11 ' A' ' 46' ' ' VAL . 3.6 ptmt -72.74 -44.01 62.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.949 HD13 HG22 ' A' ' 46' ' ' VAL . 12.2 tp -52.07 -57.31 9.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 101' ' ' LEU . 54.0 mt-10 -37.39 -57.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -53.36 -41.89 66.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 110.336 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -61.2 -38.44 86.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.998 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -96.96 36.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.488 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 63.6 t-80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.705 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -74.98 -37.46 2.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.529 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -54.61 -29.03 47.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.933 HG13 ' HB2' ' A' ' 86' ' ' ALA . 59.5 t -82.97 -56.67 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.774 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.8 mt -43.83 -35.66 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -48.05 -35.19 10.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.807 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -82.76 -46.5 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.447 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 11.3 mt-10 -51.27 -34.65 33.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.22 89.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.518 HD13 ' C ' ' A' ' 71' ' ' ALA . 12.7 mt -77.9 -49.19 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.598 ' CD2' HD21 ' A' ' 72' ' ' LEU . 3.9 mm? -48.36 -35.12 11.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -48.18 82.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' C ' ' OE2' ' A' ' 68' ' ' GLU . 4.0 mtpp -61.26 -36.62 80.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.543 ' HA ' HD23 ' A' ' 42' ' ' LEU . 98.9 t -56.62 -33.22 39.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.468 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 8.6 mt-30 -55.64 -30.8 61.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.98 -26.69 68.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.631 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.4 mm? -91.28 -37.16 13.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.439 0.729 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.693 ' HB2' HD13 ' A' ' 97' ' ' ILE . 0.2 OUTLIER -72.72 -42.59 63.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.468 ' CG ' ' O ' ' A' ' 40' ' ' GLN . 12.9 mm100 -64.29 -31.74 73.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' SER . . . -74.45 -40.12 62.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.896 HG11 ' CG ' ' A' ' 100' ' ' LYS . 4.9 t -58.12 -64.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -44.08 -27.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 45' ' ' ALA . 23.4 t -125.08 46.61 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.52 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 2.9 t80 -116.77 165.53 13.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.52 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 2.0 tt0 -160.07 134.3 7.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 159.74 -131.97 2.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.662 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -154.9 -170.88 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.597 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 1.6 mtmp? -88.59 5.69 41.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 71.5 p -114.44 -30.19 6.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.06 156.57 2.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -80.3 -32.85 38.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -40.7 80.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.982 ' CE1' HD13 ' A' ' 101' ' ' LEU . 56.2 t80 -64.38 -43.39 94.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 56' ' ' LYS . 22.9 mt -59.14 -35.2 73.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.595 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 3.3 mtp -58.89 -50.69 73.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.511 HG21 HG23 ' A' ' 46' ' ' VAL . 12.1 mt -72.25 -36.54 56.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.606 ' OE1' ' CE2' ' A' ' 58' ' ' TYR . 2.3 tt0 -64.43 -50.39 67.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.477 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 4.5 pt-20 -61.7 -44.53 96.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.344 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 60' ' ' MET . 3.1 m-85 -59.95 -65.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 64' ' ' TYR . 26.4 mt -34.11 -56.34 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' LEU . 3.1 m -57.08 -48.69 77.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.425 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 64' ' ' TYR . 18.5 mttm -47.78 -34.21 8.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.489 ' OE2' ' N ' ' A' ' 39' ' ' VAL . 18.0 mt-10 -74.37 -33.03 62.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.87 HD12 HG11 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -58.76 -55.92 28.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.3 mt -51.35 -33.01 27.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.518 ' C ' HD13 ' A' ' 35' ' ' ILE . . . -69.59 -28.26 65.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.598 HD21 ' CD2' ' A' ' 36' ' ' LEU . 17.4 mt -81.56 -29.41 33.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.367 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.12 -39.55 33.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.8 t -53.55 -19.9 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.7 t -74.02 126.96 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -110.26 113.47 56.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.475 ' O ' ' CD ' ' A' ' 80' ' ' ARG . 18.2 Cg_endo -75.02 -32.42 5.37 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 64.43 11.47 6.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 101.87 50.36 1.18 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.475 ' CD ' ' O ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -126.18 101.36 6.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 0.792 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 85' ' ' GLN . . . -39.74 -55.24 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.97 -63.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.529 HG13 ' O ' ' A' ' 28' ' ' GLY . 4.2 t -61.5 -56.19 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -43.56 -31.53 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.454 ' CD ' ' N ' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -76.22 -69.5 0.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.933 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -39.32 -32.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -72.3 -67.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.55 -34.88 12.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.69 -54.83 5.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.466 ' HA2' HD11 ' A' ' 36' ' ' LEU . . . -42.41 -59.86 2.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.9 m -54.11 -45.5 65.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.355 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -46.82 42.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -56.42 -49.62 74.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.87 HG11 HD12 ' A' ' 69' ' ' LEU . 59.9 t -64.71 -56.75 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -38.9 -54.84 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.2 m -54.55 -56.84 14.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.366 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.693 HD13 ' HB2' ' A' ' 43' ' ' GLU . 40.5 mt -48.04 -53.66 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 98' ' ' LEU . 7.9 mt -49.08 -35.26 15.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.89 -29.5 50.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.256 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.896 ' CG ' HG11 ' A' ' 46' ' ' VAL . 1.1 ptmt -74.32 -39.09 63.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.982 HD13 ' CE1' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -51.89 -55.33 20.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 105' ' ' ALA . 7.2 mt-10 -38.49 -69.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -42.15 -40.74 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.575 ' HG3' HG13 ' A' ' 46' ' ' VAL . 2.5 mmpt? -65.16 -44.19 89.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.662 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -92.43 33.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.498 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.6 t-80 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.481 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -74.99 -35.75 2.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.498 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -52.58 -33.9 42.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.761 HG13 ' HB2' ' A' ' 86' ' ' ALA . 20.4 t -83.79 -57.58 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 27' ' ' PRO . 5.1 mt -43.8 -36.68 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.78 ' O ' HD12 ' A' ' 35' ' ' ILE . 6.8 tttt -46.64 -33.03 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.876 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -87.86 -47.34 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.471 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 3.1 mt-10 -55.31 -31.55 61.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.2 -40.47 96.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.78 HD12 ' O ' ' A' ' 31' ' ' LYS . 4.1 mt -78.65 -47.79 23.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.626 HD21 ' HA2' ' A' ' 90' ' ' GLY . 14.0 mt -46.45 -42.87 15.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -56.83 -50.58 71.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -59.78 -44.63 93.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.585 HG11 HG22 ' A' ' 94' ' ' VAL . 98.9 t -48.03 -48.28 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -39.65 -50.6 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.12 -43.67 88.62 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.794 HD22 ' HB3' ' A' ' 64' ' ' TYR . 24.6 mt -67.43 -29.66 69.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.548 ' OE1' HG23 ' A' ' 97' ' ' ILE . 3.4 tp10 -77.84 -28.0 50.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.251 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -65.73 -33.25 75.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -71.22 -38.37 72.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.607 HG22 ' HB2' ' A' ' 101' ' ' LEU . 22.2 t -65.78 -42.05 91.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.35 -20.81 64.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.18 54.64 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.967 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' A' ' 50' ' ' GLU . 0.9 OUTLIER -102.55 160.24 14.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.578 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 22.3 mt-10 -136.64 116.52 13.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.245 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.55 -179.33 25.48 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.919 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -109.71 -167.39 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 0.778 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.436 ' HG2' ' CE2' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -83.64 7.63 16.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -115.58 -32.11 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.91 153.07 2.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.423 ' HA ' HD12 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -68.62 -49.45 59.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.83 -46.32 7.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.467 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 41.9 t80 -59.43 -42.08 91.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 56' ' ' LYS . 35.6 mt -63.5 -39.57 94.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.51 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 3.2 mtp -57.66 -51.02 71.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.428 HG22 ' CD1' ' A' ' 65' ' ' LEU . 20.9 mt -63.39 -38.52 82.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -56.7 -59.86 4.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 5.4 pt-20 -61.47 -44.77 96.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.794 ' HB3' HD22 ' A' ' 42' ' ' LEU . 1.9 m-85 -54.18 -44.49 71.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.655 ' HB3' HD21 ' A' ' 98' ' ' LEU . 13.9 mt -60.05 -64.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.855 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.5 m -48.41 -44.47 35.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.422 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -40.31 -42.76 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.727 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 9.9 mm-40 -69.31 -44.03 72.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.855 HD12 ' HA ' ' A' ' 66' ' ' THR . 11.6 mt -48.12 -49.26 32.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -56.25 -16.97 6.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.727 ' HB3' ' O ' ' A' ' 68' ' ' GLU . . . -82.3 -18.71 41.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.547 ' HG ' HG12 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -75.34 -61.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.457 ' HA ' ' NH2' ' A' ' 87' ' ' ARG . 3.8 t70 -50.89 -44.95 59.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.42 -27.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.415 ' N ' ' C ' ' A' ' 73' ' ' ASP . 59.0 t -73.29 132.01 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.5 102.22 46.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -24.0 13.24 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.545 1.813 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 74.39 -64.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.307 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.54 36.8 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.03 149.37 28.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.83 -48.94 7.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -50.82 -27.86 8.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.0 t -90.66 -54.56 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -45.44 -35.18 3.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.245 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -73.75 -59.6 2.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.876 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -39.13 -46.38 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.457 ' NH2' ' HA ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -57.56 -71.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.91 -52.09 15.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.6 -40.54 79.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.626 ' HA2' HD21 ' A' ' 36' ' ' LEU . . . -64.74 -65.23 3.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.568 ' HA ' HD23 ' A' ' 69' ' ' LEU . 27.7 m -45.22 -46.18 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -49.57 -57.66 6.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.706 ' CE ' HD11 ' A' ' 97' ' ' ILE . 5.0 tptm -37.89 -52.58 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.848 ' HA ' HD12 ' A' ' 97' ' ' ILE . 3.5 t -61.2 -53.6 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -40.8 -58.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.4 m -49.82 -45.64 50.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 94' ' ' VAL . 16.2 mt -59.78 -36.8 68.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.655 HD21 ' HB3' ' A' ' 65' ' ' LEU . 2.6 mm? -65.3 -55.77 16.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.48 -19.34 36.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 104' ' ' LYS . 4.8 ttpp -76.43 -72.87 0.31 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.607 ' HB2' HG22 ' A' ' 46' ' ' VAL . 8.1 tp -41.68 -46.48 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.76 -44.26 77.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 100' ' ' LYS . 4.0 mm-40 -93.28 9.53 35.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.561 ' HG3' ' N ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -102.05 -47.46 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.919 ' HB1' ' HA ' ' A' ' 52' ' ' LYS . . . -59.22 -52.44 65.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.959 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.492 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 59.1 t-80 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.907 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.4 Cg_endo -74.98 -35.44 3.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.781 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.615 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -53.97 -34.45 52.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.806 HG13 ' HB2' ' A' ' 86' ' ' ALA . 21.7 t -75.97 -52.77 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.766 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.907 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.2 mt -47.85 -35.13 9.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.488 ' HG2' HG12 ' A' ' 75' ' ' VAL . 6.5 tttt -41.46 -40.34 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.65 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.9 OUTLIER -77.41 -46.03 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.443 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 3.2 mt-10 -56.0 -32.79 64.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.76 95.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.7 mt -73.21 -48.75 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 32' ' ' VAL . 4.5 mm? -51.52 -34.4 36.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -34.85 73.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -84.26 -44.24 14.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.753 HG22 ' HG3' ' A' ' 68' ' ' GLU . 75.0 t -43.63 -47.13 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -45.18 -47.66 12.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.24 -31.42 62.33 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 64' ' ' TYR . 85.4 mt -79.13 -31.01 44.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.52 ' HG2' HG23 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -65.12 -36.76 85.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -60.75 -40.41 92.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -60.85 -50.09 74.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.864 HG22 HD13 ' A' ' 101' ' ' LEU . 24.2 t -59.21 -61.31 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.18 -25.46 5.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.7 p -118.06 35.98 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.026 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.459 ' CD1' ' HD3' ' A' ' 57' ' ' LYS . 76.7 t80 -100.28 165.68 11.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.454 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 1.9 pt-20 -163.86 120.11 1.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 154.85 -131.91 3.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.875 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -145.82 -169.58 3.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.777 . . . . 0.0 109.267 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.531 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 11.9 mttp -83.39 -13.39 55.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.9 -31.23 16.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.404 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.505 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 12.3 m-20 -55.89 148.1 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 59' ' ' LEU . 2.8 tmtm? -64.38 -46.06 84.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.459 ' HD3' ' CD1' ' A' ' 49' ' ' PHE . 11.7 ttmt -42.65 -31.83 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.531 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 86.7 t80 -80.52 -40.97 25.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 55' ' ' ASP . 8.5 mp -63.65 -52.13 62.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.642 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 3.5 ptm -57.29 -30.48 64.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 64' ' ' TYR . 41.2 mt -77.94 -62.39 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 61' ' ' ILE . 0.6 OUTLIER -36.68 -50.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.573 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -56.23 -46.57 79.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.642 ' CD2' ' O ' ' A' ' 60' ' ' MET . 16.7 m-30 -61.63 -46.58 89.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.785 ' HB3' HD21 ' A' ' 98' ' ' LEU . 3.9 mp -56.41 -72.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.8 m -44.35 -44.37 8.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.425 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 66' ' ' THR . 10.7 mttt -39.19 -47.32 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.753 ' HG3' HG22 ' A' ' 39' ' ' VAL . 4.9 mm-40 -59.59 -47.27 86.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -46.13 -57.93 4.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.9 mt -48.93 -41.87 35.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.85 -30.96 69.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.619 HD21 ' CD2' ' A' ' 36' ' ' LEU . 14.1 mt -72.65 -26.32 61.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.33 -29.92 15.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.6 t -53.24 -45.37 68.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.017 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.591 ' CG2' ' HD2' ' A' ' 87' ' ' ARG . 17.7 m -55.79 147.93 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.46 116.42 43.86 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.439 ' HG3' ' NH1' ' A' ' 87' ' ' ARG . 18.3 Cg_endo -75.0 -23.19 14.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 68.08 8.67 6.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 101.52 -6.27 55.25 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.71 102.74 1.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.47 -48.14 19.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.62 -51.59 8.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.615 HG13 ' O ' ' A' ' 28' ' ' GLY . 45.4 t -70.46 -59.45 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.449 ' HA ' ' NH1' ' A' ' 87' ' ' ARG . 5.6 mtt180 -38.9 -47.97 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -58.35 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.806 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -49.15 -52.72 24.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.813 ' O ' HG23 ' A' ' 91' ' ' VAL . 3.2 ttp-105 -49.03 -38.02 22.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -68.95 -67.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.36 -55.22 3.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.585 ' HA3' HD21 ' A' ' 36' ' ' LEU . . . -49.62 -46.17 38.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 87' ' ' ARG . 55.0 t -64.54 -47.13 90.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 0.766 . . . . 0.0 109.328 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.2 -30.82 68.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.478 ' HG2' HD12 ' A' ' 36' ' ' LEU . 4.5 tptm -67.44 -55.73 12.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.714 ' HA ' HD12 ' A' ' 97' ' ' ILE . 44.1 t -55.2 -50.96 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -45.78 -47.1 15.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.0 m -56.91 -31.2 64.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.714 HD12 ' HA ' ' A' ' 94' ' ' VAL . 38.5 mt -68.48 -38.15 78.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.785 HD21 ' HB3' ' A' ' 65' ' ' LEU . 4.3 mm? -64.4 -53.37 49.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -18.33 22.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.446 ' O ' ' CG ' ' A' ' 104' ' ' LYS . 24.0 ttpp -83.46 -59.19 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.864 HD13 HG22 ' A' ' 46' ' ' VAL . 40.8 tp -45.22 -53.83 7.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 101' ' ' LEU . 18.3 mt-10 -38.69 -69.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -51.65 -43.35 62.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 2.3 mmpt? -50.96 -41.8 59.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.875 ' HB1' ' HA ' ' A' ' 52' ' ' LYS . . . -73.27 -45.75 53.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.7 m . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 59.4 t-80 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.853 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.5 Cg_endo -74.9 -36.2 2.78 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.5 1.79 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.53 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -52.94 -33.29 43.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.66 HG13 ' CB ' ' A' ' 86' ' ' ALA . 21.6 t -77.79 -56.67 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.8 mt -42.49 -36.25 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.62 ' O ' HD12 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -43.81 -31.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.617 HG13 ' O ' ' A' ' 29' ' ' VAL . 1.0 OUTLIER -85.48 -46.54 17.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.45 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 9.6 mt-10 -54.58 -38.61 66.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.2 70.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.62 HD12 ' O ' ' A' ' 31' ' ' LYS . 7.0 mt -83.57 -52.52 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 36' ' ' LEU . 9.3 mt -45.92 -37.2 6.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.82 -40.79 73.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' ILE . 4.0 mttt -75.69 -41.95 52.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 42' ' ' LEU . 50.5 t -43.8 -51.46 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -46.74 -45.15 19.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.9 -24.77 71.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.835 HD22 ' HB3' ' A' ' 64' ' ' TYR . 53.5 mt -91.16 -19.73 22.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -86.94 -33.52 19.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.422 ' CG ' ' N ' ' A' ' 45' ' ' ALA . 12.1 pt20 -59.29 -41.75 89.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -60.35 -37.89 82.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.871 HG22 ' HG ' ' A' ' 101' ' ' LEU . 11.6 t -61.2 -71.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.24 -26.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -119.52 41.29 3.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.03 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.586 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 35.4 t80 -99.24 171.87 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.586 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 1.9 mt-10 -159.5 138.88 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.45 -143.5 14.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.821 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -144.44 -176.24 4.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 109.273 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.618 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 4.7 mtmp? -72.19 -5.6 36.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.487 HG22 ' N ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -91.93 -52.9 4.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.487 ' N ' HG22 ' A' ' 54' ' ' THR . 46.7 m-20 -39.35 129.25 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -55.43 -21.76 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -58.29 -56.39 22.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.707 ' CE1' HD13 ' A' ' 101' ' ' LEU . 75.9 t80 -51.29 -46.96 62.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 59' ' ' LEU . 6.7 mp -56.12 -50.19 71.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.68 -58.9 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.746 HG22 HD13 ' A' ' 65' ' ' LEU . 76.4 mt -52.42 -58.96 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.367 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.444 ' CD ' ' C ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -37.79 -46.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.306 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.555 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -60.85 -53.19 60.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.835 ' HB3' HD22 ' A' ' 42' ' ' LEU . 33.0 m-85 -52.16 -42.7 63.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.746 HD13 HG22 ' A' ' 61' ' ' ILE . 9.4 mp -60.75 -73.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.537 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.1 m -39.86 -41.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.43 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -40.51 -45.97 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 12.2 mm-40 -66.67 -41.44 88.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.792 ' HG ' HG11 ' A' ' 94' ' ' VAL . 64.0 mt -52.53 -52.94 52.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.533 HD23 HG22 ' A' ' 66' ' ' THR . 4.4 mm? -57.68 -39.8 77.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.14 -26.17 64.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.55 ' HG ' HG21 ' A' ' 35' ' ' ILE . 8.4 mt -76.26 -23.43 54.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -92.7 -19.76 21.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.1 t -65.7 -44.13 87.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.547 ' CG2' ' HD2' ' A' ' 87' ' ' ARG . 6.4 m -59.01 144.68 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -112.46 117.41 47.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.606 ' HA ' HG11 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.01 -36.69 2.4 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.468 1.773 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 70.9 66.08 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 42.09 42.96 4.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.453 1.096 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -124.67 100.55 6.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 0.732 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.98 -39.46 41.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.4 -48.21 62.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.606 HG11 ' HA ' ' A' ' 77' ' ' PRO . 59.8 t -80.44 -51.79 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -48.54 -58.14 5.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.334 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -43.65 -56.73 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.273 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.66 ' CB ' HG13 ' A' ' 29' ' ' VAL . . . -50.45 -50.92 50.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.547 ' HD2' ' CG2' ' A' ' 75' ' ' VAL . 6.7 ttp180 -49.32 -46.46 46.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -69.62 -49.66 51.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -48.89 -42.76 37.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.95 -50.47 18.23 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.483 HG23 ' HB3' ' A' ' 72' ' ' LEU . 4.5 t -54.32 -35.59 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -67.98 -33.83 75.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -50.14 73.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.804 ' HA ' HD12 ' A' ' 97' ' ' ILE . 13.0 t -57.27 -49.0 81.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -46.65 -57.72 4.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.8 m -48.84 -48.52 41.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.36 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' A' ' 94' ' ' VAL . 11.6 mt -57.19 -42.65 80.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.666 HD22 HD23 ' A' ' 65' ' ' LEU . 2.3 mm? -59.99 -27.4 66.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -76.72 -32.47 57.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.452 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 7.1 mtpt -71.06 -56.47 6.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.871 ' HG ' HG22 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -38.17 -53.63 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 105' ' ' ALA . 0.6 OUTLIER -41.74 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -48.48 -35.23 12.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 0.5 OUTLIER -62.8 -31.1 72.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.821 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -105.66 31.06 5.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.005 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.492 ' CE1' ' H ' ' A' ' 28' ' ' GLY . 63.3 t-80 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.04 -34.85 3.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.777 . . . . 0.0 110.988 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.614 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -51.84 -27.67 21.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.542 1.152 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.535 HG13 ' HB2' ' A' ' 86' ' ' ALA . 41.0 t -86.13 -45.36 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.687 HD23 ' N ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -64.79 -28.6 69.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -49.84 -25.19 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 29' ' ' VAL . 0.8 OUTLIER -90.68 -45.39 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.435 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 7.2 mt-10 -53.17 -37.95 62.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.02 77.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.735 HG21 ' HB3' ' A' ' 71' ' ' ALA . 15.0 mt -79.95 -50.84 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.585 HD11 ' HA2' ' A' ' 90' ' ' GLY . 12.9 mt -46.52 -35.78 6.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.48 -45.27 13.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -64.5 -48.35 75.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.575 HG21 HG22 ' A' ' 94' ' ' VAL . 72.8 t -45.93 -37.56 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -55.53 -32.07 62.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.08 -25.96 72.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.755 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -90.65 -27.91 18.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 109.278 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -50.24 64.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -69.91 -31.74 69.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 110.326 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.48 -34.3 76.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.9 HG11 ' CG ' ' A' ' 100' ' ' LYS . 3.4 t -70.45 -67.11 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -43.72 -27.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 46' ' ' VAL . 44.5 t -120.83 45.18 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.023 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.6 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 23.0 t80 -102.33 171.69 7.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.6 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 2.6 mt-10 -156.5 138.78 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.35 -154.65 18.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.841 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 2.4 mmmm -130.69 -156.21 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.751 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.626 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 8.5 mttp -88.17 12.47 13.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.5 p -114.11 -48.13 2.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.386 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -41.54 131.08 3.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.298 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -38.91 19.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 10.6 ttpt -45.03 -59.0 2.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.626 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 59.4 t80 -47.97 -46.97 33.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 59' ' ' LEU . 6.2 mp -59.63 -52.11 66.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.0 mtp -45.55 -65.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.486 HG22 ' CD1' ' A' ' 65' ' ' LEU . 38.2 mt -48.67 -53.9 5.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' GLU . 0.6 OUTLIER -41.5 -67.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -37.93 -63.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.71 ' CB ' HD11 ' A' ' 42' ' ' LEU . 36.5 m-85 -47.43 -62.93 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.486 ' CD1' HG22 ' A' ' 61' ' ' ILE . 53.9 mt -37.25 -58.13 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.809 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.6 m -61.08 -48.83 79.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -41.81 -49.8 4.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -61.6 -39.99 93.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.899 HD21 ' HB ' ' A' ' 94' ' ' VAL . 43.6 mt -56.78 -51.11 70.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.52 -34.93 62.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.735 ' HB3' HG21 ' A' ' 35' ' ' ILE . . . -71.93 -24.33 61.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 69' ' ' LEU . 14.3 mt -80.84 -28.06 36.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.23 -37.66 57.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -55.67 -19.1 9.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.148 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.0 t -80.89 123.0 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -112.75 106.62 55.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.403 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 18.5 Cg_endo -74.93 -35.64 3.09 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.516 1.798 . . . . 0.0 111.051 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 12.7 mt-10 79.12 -59.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.224 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 173.3 38.54 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.549 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 1.6 mmp_? -86.8 -18.75 30.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . 74.26 -64.29 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -49.49 -44.52 46.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 28' ' ' GLY . 26.4 t -74.56 -34.71 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -62.77 -39.96 95.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -61.64 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.535 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -43.59 -44.8 6.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -60.56 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -54.32 -27.83 38.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -83.42 -33.71 25.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.585 ' HA2' HD11 ' A' ' 36' ' ' LEU . . . -72.28 -50.47 16.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 19.0 m -61.94 -43.94 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 109.249 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -60.68 -39.89 90.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -51.97 -57.38 9.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.899 ' HB ' HD21 ' A' ' 69' ' ' LEU . 12.1 t -58.91 -56.11 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 94' ' ' VAL . 38.2 mt-30 -37.34 -60.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.4 m -50.98 -49.08 60.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 52.1 mt -59.54 -44.78 93.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.511 HD12 HD11 ' A' ' 69' ' ' LEU . 4.5 mt -56.41 -30.4 62.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.64 -26.84 25.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.311 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.9 ' CG ' HG11 ' A' ' 46' ' ' VAL . 3.8 ptmt -73.8 -36.02 64.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.816 HD13 HG22 ' A' ' 46' ' ' VAL . 47.6 tp -60.02 -54.9 40.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -38.65 -53.67 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.47 -42.87 83.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.442 ' HG3' HG13 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -60.81 -33.14 72.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.841 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -102.0 36.35 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.481 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.7 t-80 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.759 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.06 -36.26 2.62 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.481 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -53.46 -38.8 58.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.973 HG13 ' HB2' ' A' ' 86' ' ' ALA . 55.5 t -72.07 -58.21 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.6 mt -42.12 -33.39 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -37.42 -43.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.769 HG12 HH22 ' A' ' 87' ' ' ARG . 0.9 OUTLIER -78.24 -45.31 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.7 mt-10 -54.81 -35.3 63.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -36.11 74.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.501 HD13 ' O ' ' A' ' 71' ' ' ALA . 9.6 mt -82.97 -50.09 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.678 HD22 ' HG2' ' A' ' 93' ' ' LYS . 11.5 mt -41.04 -50.49 3.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -41.0 -40.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' ILE . 20.4 mttm -74.52 -43.3 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.621 HG11 HG22 ' A' ' 94' ' ' VAL . 73.7 t -48.9 -49.64 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -41.25 -44.88 2.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.259 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.73 -40.56 98.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 64' ' ' TYR . 82.4 mt -70.76 -23.66 62.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.479 ' HG2' ' CG2' ' A' ' 97' ' ' ILE . 1.0 OUTLIER -73.49 -54.35 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.357 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -45.23 -41.65 8.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.71 85.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.842 HG22 HD13 ' A' ' 101' ' ' LEU . 14.2 t -65.73 -65.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -48.16 -24.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -118.92 36.56 4.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.946 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.57 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 61.0 t80 -98.61 172.34 7.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.57 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 4.1 mt-10 -167.01 128.15 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 105' ' ' ALA . . . 139.56 -148.39 19.98 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.821 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 2.2 mmtm -121.53 -157.54 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 3.3 mttt -103.69 27.72 7.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ASP . 56.5 p -122.5 -44.02 2.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.388 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 52' ' ' LYS . 1.3 m-20 -40.49 134.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -32.52 31.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -58.5 -50.68 72.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 91.0 t80 -51.88 -47.65 64.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 59' ' ' LEU . 7.0 mp -57.42 -53.34 59.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -42.52 -56.59 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.632 HG22 HD22 ' A' ' 101' ' ' LEU . 46.9 mt -58.99 -41.35 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -53.46 -60.38 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 2.3 pt-20 -61.19 -43.76 98.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.614 ' HB3' HD22 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -55.68 -40.57 72.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.3 mt -64.26 -48.27 76.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' LEU . 3.8 m -59.98 -45.91 91.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 66' ' ' THR . 25.2 mttp -40.07 -40.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.475 ' HG3' HG22 ' A' ' 39' ' ' VAL . 19.9 mm-40 -72.23 -44.81 62.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' THR . 52.6 mt -44.9 -54.76 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.2 mt -54.37 -41.36 69.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.501 ' O ' HD13 ' A' ' 35' ' ' ILE . . . -69.54 -19.66 63.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.452 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 22.9 mt -99.18 5.16 46.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.425 ' C ' ' N ' ' A' ' 75' ' ' VAL . 14.1 t0 -122.52 -38.87 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -13.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.042 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.717 ' HB ' ' CZ ' ' A' ' 87' ' ' ARG . 54.6 t -82.76 128.34 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -120.79 108.57 36.86 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.529 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 18.0 Cg_endo -75.02 -58.82 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.472 1.775 . . . . 0.0 110.945 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 77' ' ' PRO . 0.5 OUTLIER 33.98 89.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 134.45 -61.12 0.64 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -93.59 138.69 31.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.61 -52.46 5.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.05 -38.44 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.529 ' CG1' ' HB3' ' A' ' 77' ' ' PRO . 40.1 t -66.99 -57.79 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.496 ' HG2' ' CG ' ' A' ' 77' ' ' PRO . 4.3 mtt180 -45.25 -49.64 12.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.18 -63.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.973 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -42.01 -51.82 4.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.769 HH22 HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -40.3 -69.82 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -20.96 4.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -79.31 -72.73 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.468 ' HA2' HD11 ' A' ' 36' ' ' LEU . . . -37.42 -62.86 0.88 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.562 HG23 ' N ' ' A' ' 92' ' ' ARG . 17.8 m -47.48 -54.27 3.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.562 ' N ' HG23 ' A' ' 91' ' ' VAL . 0.5 OUTLIER -47.02 -55.65 7.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.678 ' HG2' HD22 ' A' ' 36' ' ' LEU . 23.5 tptt -43.94 -58.82 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.621 HG22 HG11 ' A' ' 39' ' ' VAL . 95.0 t -55.6 -56.66 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 94' ' ' VAL . 68.9 mt-30 -37.47 -60.82 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.7 m -48.39 -47.8 37.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.373 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.479 ' CG2' ' HG2' ' A' ' 43' ' ' GLU . 46.6 mt -61.79 -35.36 67.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.424 ' CD1' HD11 ' A' ' 69' ' ' LEU . 6.0 mt -66.91 -31.74 72.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -86.4 -25.51 25.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.836 ' CG ' HG11 ' A' ' 46' ' ' VAL . 2.7 ptmt -74.82 -37.68 62.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.842 HD13 HG22 ' A' ' 46' ' ' VAL . 52.2 tp -59.01 -57.56 12.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.97 -52.8 8.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -57.76 -50.22 73.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 1.1 mmpt? -41.36 -63.99 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.821 ' HB1' ' HA ' ' A' ' 52' ' ' LYS . . . -38.48 -62.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 105' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.415 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 61.8 t-80 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.758 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.4 Cg_endo -74.99 -36.06 2.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.77 . . . . 0.0 110.987 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.415 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -55.62 -32.75 58.62 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.009 HG13 ' HB2' ' A' ' 86' ' ' ALA . 62.6 t -77.45 -56.83 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.773 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.9 mt -43.35 -35.92 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -48.78 -37.42 19.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.973 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.9 OUTLIER -76.73 -48.97 24.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.481 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 2.4 mm-40 -52.46 -47.35 66.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.51 -30.15 68.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.737 HG23 ' OE1' ' A' ' 68' ' ' GLU . 89.7 mt -80.77 -53.4 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.896 HD21 HD21 ' A' ' 72' ' ' LEU . 3.9 mm? -63.24 -16.45 60.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.4 tt0 -60.56 -35.13 75.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 39' ' ' VAL . 0.5 OUTLIER -73.84 -64.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.92 ' HA ' HD12 ' A' ' 42' ' ' LEU . 3.0 p -37.06 -49.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -41.55 -57.12 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.7 -34.44 56.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.92 HD12 ' HA ' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -81.56 -19.15 42.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.302 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.798 ' HB2' HD13 ' A' ' 97' ' ' ILE . 25.7 tt0 -79.94 -30.8 39.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -70.22 -31.72 69.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -71.02 -28.19 64.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.812 HG11 ' CG ' ' A' ' 100' ' ' LYS . 3.4 t -63.14 -53.61 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -57.96 -19.51 30.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.35 31.13 5.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.557 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 1.4 t80 -104.17 167.33 9.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.557 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 8.5 mt-10 -157.14 137.85 13.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 146.36 -146.33 16.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.848 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -140.72 -169.53 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.754 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.631 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 3.7 mttp -82.68 6.87 16.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.8 -35.97 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.54 126.31 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.4 tptt -54.48 -25.4 25.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -64.48 -47.63 78.26 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.944 ' CE1' HD13 ' A' ' 101' ' ' LEU . 62.1 t80 -55.52 -47.81 75.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 59' ' ' LEU . 7.5 mp -51.83 -50.84 60.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.546 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 9.9 mtp -47.09 -51.4 17.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.7 mt -67.13 -49.37 73.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -44.2 -65.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.268 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 5.3 pt-20 -55.85 -45.51 78.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.77 ' HB3' HD13 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -51.82 -36.71 48.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.608 HD23 HG23 ' A' ' 39' ' ' VAL . 15.8 mt -70.45 -73.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 69' ' ' LEU . 1.5 m -38.28 -35.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.44 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER -39.06 -46.53 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.737 ' OE1' HG23 ' A' ' 35' ' ' ILE . 15.3 mm-40 -66.88 -41.52 87.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.579 HD12 ' CG1' ' A' ' 94' ' ' VAL . 0.0 OUTLIER -46.15 -54.09 9.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.425 ' N ' HD22 ' A' ' 70' ' ' LEU . 1.8 mm? -58.68 -38.47 78.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.56 ' O ' HD13 ' A' ' 35' ' ' ILE . . . -70.02 -16.5 63.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.896 HD21 HD21 ' A' ' 36' ' ' LEU . 12.1 mt -88.24 -22.83 23.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -86.78 -40.67 14.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.57 -28.89 49.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.055 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.4 t -75.66 114.16 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -104.15 112.69 65.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 79' ' ' GLY . 18.4 Cg_endo -74.95 -22.99 14.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.534 1.807 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 68.58 -60.47 0.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 77' ' ' PRO . . . -171.27 35.43 0.16 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.907 ' NH1' HG21 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -111.62 122.07 46.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 82' ' ' ASP . . . -67.79 -56.13 10.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 81' ' ' ALA . 13.9 m-20 -38.16 -47.46 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.907 HG21 ' NH1' ' A' ' 80' ' ' ARG . 8.4 t -71.52 -60.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -41.78 -34.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.451 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -64.43 -71.75 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 1.009 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -41.91 -55.71 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -50.7 26.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -58.51 -47.51 83.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -61.68 -51.1 69.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.32 -50.28 56.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.7 t -55.66 -39.64 56.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -73.16 -29.79 63.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.616 ' HG2' HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -64.79 -65.95 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.579 ' CG1' HD12 ' A' ' 69' ' ' LEU . 11.9 t -47.9 -61.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.484 ' HG2' HD11 ' A' ' 69' ' ' LEU . 7.4 mm-40 -38.41 -59.32 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.8 m -44.81 -55.0 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.798 HD13 ' HB2' ' A' ' 43' ' ' GLU . 45.2 mt -50.92 -52.61 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 65' ' ' LEU . 2.4 mm? -47.87 -39.78 19.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.62 -28.66 61.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.812 ' CG ' HG11 ' A' ' 46' ' ' VAL . 1.2 ptmt -78.88 -38.98 36.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.944 HD13 ' CE1' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -59.05 -61.93 2.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 105' ' ' ALA . 50.7 mt-10 -37.52 -70.16 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 102' ' ' GLU . 52.6 mm-40 -38.0 -52.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 3.7 mmpt? -48.89 -50.04 36.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.848 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -64.79 -38.06 89.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.8 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.48 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 62.9 t-80 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.7 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.4 Cg_endo -74.97 -35.87 2.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.48 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -54.17 -33.99 52.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.942 HG13 ' HB2' ' A' ' 86' ' ' ALA . 89.2 t -77.27 -55.51 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.7 HD12 ' HA ' ' A' ' 27' ' ' PRO . 5.1 mt -46.5 -35.15 5.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -45.21 -33.0 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -83.09 -47.86 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.469 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 4.7 mt-10 -48.63 -39.8 25.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.82 -31.94 71.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.448 ' O ' HG13 ' A' ' 39' ' ' VAL . 57.5 mt -79.77 -59.36 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.773 HD13 HG21 ' A' ' 39' ' ' VAL . 2.7 mm? -47.97 -28.09 2.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -12.66 44.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.3 mtpp -112.38 -8.35 13.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.773 HG21 HD13 ' A' ' 36' ' ' LEU . 1.3 m -89.81 -44.28 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.42 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 7.5 mm-40 -46.83 -38.92 11.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.69 -27.91 73.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.152 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 39' ' ' VAL . 70.2 mt -85.6 -21.57 28.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -77.95 -40.0 40.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.46 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 12.8 pt20 -58.25 -41.97 85.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -62.41 -38.8 91.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.793 HG22 ' HG ' ' A' ' 101' ' ' LEU . 11.9 t -59.74 -71.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' VAL . 1.1 t0 -40.57 -29.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.452 ' N ' ' C ' ' A' ' 46' ' ' VAL . 82.2 p -123.66 47.74 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.003 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.678 ' CE1' ' HB2' ' A' ' 105' ' ' ALA . 3.1 t80 -106.48 153.5 22.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.47 131.27 27.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.94 -135.83 5.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.96 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -152.64 -171.88 4.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 0.779 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.612 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 4.1 mtmp? -86.91 -7.2 58.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.6 p -103.95 -18.01 14.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 110.386 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -66.02 154.21 40.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.411 ' HA ' HD12 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -73.07 -47.97 39.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -44.3 -41.64 6.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.733 ' CE1' HD13 ' A' ' 101' ' ' LEU . 74.9 t80 -63.47 -44.25 94.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 56' ' ' LYS . 27.8 mt -59.33 -34.0 71.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.455 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.2 mtp -61.29 -53.0 62.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.577 ' HB ' HD11 ' A' ' 101' ' ' LEU . 32.1 mt -65.75 -39.97 86.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -57.87 -53.77 54.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 3.9 pt-20 -64.71 -43.79 92.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.461 ' N ' ' CG ' ' A' ' 63' ' ' GLU . 1.8 m-85 -59.12 -30.22 67.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.82 HD21 HG21 ' A' ' 97' ' ' ILE . 20.5 mt -73.08 -65.26 0.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.7 m -44.13 -46.2 8.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.415 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -41.3 -42.01 2.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 37.9 mm-40 -70.54 -43.26 69.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.641 ' HA ' HD12 ' A' ' 72' ' ' LEU . 24.6 mt -48.38 -57.71 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -53.14 -34.5 57.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 68' ' ' GLU . . . -69.44 -24.77 63.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.647 HD21 ' CD2' ' A' ' 36' ' ' LEU . 22.6 mt -80.2 -51.63 8.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.424 ' HA ' ' NH2' ' A' ' 87' ' ' ARG . 0.2 OUTLIER -63.62 -12.94 37.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.6 t -75.0 -2.03 25.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.3 t -96.93 130.71 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -109.04 100.98 42.89 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.463 ' HB3' HG12 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -74.97 -21.47 15.9 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.481 1.78 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.61 -62.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -174.89 33.76 0.1 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.445 1.09 . . . . 0.0 111.028 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -102.62 118.82 37.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.773 . . . . 0.0 110.269 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.61 -58.83 6.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.1 -56.03 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.463 HG12 ' HB3' ' A' ' 77' ' ' PRO . 21.7 t -62.14 -53.73 43.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.9 mtt-85 -42.74 -51.17 5.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.349 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -58.53 -56.56 20.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.942 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -42.99 -56.19 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.424 ' NH2' ' HA ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -52.2 -52.61 51.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -58.51 -46.25 87.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.56 -46.85 86.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.719 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -53.81 -64.11 4.53 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.442 ' N ' HD13 ' A' ' 72' ' ' LEU . 16.8 m -53.67 -45.8 60.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.408 ' N ' HG23 ' A' ' 91' ' ' VAL . 1.2 ttt85 -57.74 -56.58 20.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.608 ' HG2' HD12 ' A' ' 36' ' ' LEU . 5.1 tptt -51.18 -32.06 22.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 90' ' ' GLY . 81.0 t -78.9 -54.95 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -40.36 -54.87 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.492 ' O ' ' CG ' ' A' ' 100' ' ' LYS . 2.0 m -44.24 -38.76 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.82 HG21 HD21 ' A' ' 65' ' ' LEU . 34.6 mt -61.05 -51.57 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.638 HD21 ' HB3' ' A' ' 65' ' ' LEU . 4.0 mm? -53.82 -47.66 70.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -34.0 75.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.237 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.67 ' HB2' HG11 ' A' ' 46' ' ' VAL . 7.8 mmmt -67.71 -58.56 4.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.793 ' HG ' HG22 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -40.57 -51.19 2.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 105' ' ' ALA . 2.5 mt-10 -41.39 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -48.23 -36.59 14.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.459 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -63.6 -31.67 72.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.96 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -107.53 39.74 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.957 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.497 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 66.2 t-80 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.45 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.4 Cg_endo -74.95 -36.55 2.53 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.497 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -60.46 -29.54 69.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.604 HG13 ' CB ' ' A' ' 86' ' ' ALA . 91.5 t -82.66 -58.23 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 27' ' ' PRO . 5.4 mt -43.35 -35.72 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.25 -37.28 22.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 109.35 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.722 HG23 HD12 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -76.1 -43.67 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.35 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 37' ' ' GLU . 2.2 mt-10 -57.04 -41.28 78.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 37' ' ' GLU . . . -65.48 -40.39 93.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.57 HG22 ' HB3' ' A' ' 68' ' ' GLU . 24.4 mt -75.28 -25.11 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.759 HD11 ' HA3' ' A' ' 90' ' ' GLY . 31.1 mt -91.33 -10.99 39.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -68.43 -34.13 75.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -73.6 -58.22 3.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.836 ' HA ' HD12 ' A' ' 42' ' ' LEU . 2.8 p -41.83 -50.79 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.476 ' NE2' ' NZ ' ' A' ' 93' ' ' LYS . 4.9 mm-40 -38.95 -48.51 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.94 -40.73 99.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.44 1.087 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -75.67 -21.13 57.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.278 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 39' ' ' VAL . 33.8 tt0 -74.24 -46.82 39.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -57.14 -29.94 64.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -69.85 -35.99 75.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.942 HG22 HD13 ' A' ' 101' ' ' LEU . 2.8 t -62.42 -67.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' VAL . 20.8 t0 -40.03 -30.25 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.44 ' N ' ' C ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -127.47 47.08 2.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.997 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.644 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 2.5 t80 -99.9 172.46 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.644 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 11.1 pt-20 -178.75 132.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.456 ' C ' ' HG2' ' A' ' 52' ' ' LYS . . . 152.78 -19.57 0.77 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.833 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 1.6 mmmt 85.39 -173.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.601 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 84.7 mttt -83.32 6.53 19.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.78 -26.82 12.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.422 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' HB2' ' C ' ' A' ' 51' ' ' GLY . 22.4 t0 -65.28 136.17 56.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -17.7 10.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -56.79 9.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.601 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 89.2 t80 -51.65 -46.6 63.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.9 mp -56.36 -50.6 71.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.43 -61.18 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.545 HG22 HD22 ' A' ' 101' ' ' LEU . 54.9 mt -45.25 -51.9 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -42.26 -72.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.342 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 4.9 pt-20 -54.22 -45.61 72.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.783 ' HB3' HD13 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -50.32 -33.55 20.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.682 HD23 HG23 ' A' ' 39' ' ' VAL . 9.9 mt -71.49 -47.66 54.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 69' ' ' LEU . 1.5 m -61.87 -38.49 88.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -35.21 -43.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.57 ' HB3' HG22 ' A' ' 35' ' ' ILE . 5.2 mm-40 -75.63 -46.16 33.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.959 HD21 ' HB ' ' A' ' 94' ' ' VAL . 60.6 mt -56.41 -48.67 76.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.847 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -61.3 -44.57 96.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.656 ' N ' HD12 ' A' ' 70' ' ' LEU . . . -72.94 -14.58 61.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.61 HD11 HD21 ' A' ' 36' ' ' LEU . 14.3 mt -84.44 -19.03 34.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -78.78 -22.39 46.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.51 -18.0 58.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.6 t -75.08 113.41 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -108.5 112.82 60.63 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -29.31 8.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.809 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 68.33 12.52 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.48 -29.84 4.4 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -45.41 118.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.51 -54.22 15.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.89 -33.61 7.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.431 HG22 HG23 ' A' ' 29' ' ' VAL . 55.9 t -85.95 -52.3 12.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -49.36 -38.13 27.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' A' ' 87' ' ' ARG . 1.3 tt0 -73.31 -61.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.604 ' CB ' HG13 ' A' ' 29' ' ' VAL . . . -39.91 -31.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.828 ' O ' HG22 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -73.5 -60.72 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -60.16 -33.84 72.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.19 -41.32 61.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.759 ' HA3' HD11 ' A' ' 36' ' ' LEU . . . -68.77 -61.21 4.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.446 1.092 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.828 HG22 ' O ' ' A' ' 87' ' ' ARG . 27.3 m -47.48 -38.81 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 93' ' ' LYS . 1.0 OUTLIER -57.66 -58.2 9.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.476 ' NZ ' ' NE2' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -39.71 -51.19 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.234 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.959 ' HB ' HD21 ' A' ' 69' ' ' LEU . 3.6 t -64.31 -54.25 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 94' ' ' VAL . 48.6 mt-30 -36.97 -62.48 0.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 100' ' ' LYS . 2.8 m -53.98 -57.22 11.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 43.1 mt -48.81 -41.52 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.458 HD12 HD11 ' A' ' 69' ' ' LEU . 1.9 mt -59.79 -50.44 73.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -69.03 -23.57 64.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.518 ' HD3' HG12 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -72.88 -44.24 61.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.942 HD13 HG22 ' A' ' 46' ' ' VAL . 54.9 tp -44.92 -56.39 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 105' ' ' ALA . 31.5 mt-10 -38.13 -66.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -44.74 -36.95 3.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 101' ' ' LEU . 2.8 mmpt? -67.81 -37.87 82.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.833 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -93.46 29.73 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.977 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.501 ' CG ' ' HD2' ' A' ' 27' ' ' PRO . 59.0 t-80 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.501 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.07 -34.97 3.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.81 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.476 ' H ' ' CE1' ' A' ' 26' ' ' HIS . . . -51.18 -25.57 11.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.675 HG13 ' HB2' ' A' ' 86' ' ' ALA . 12.4 t -88.73 -47.19 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.753 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.631 HD23 ' N ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -61.73 -29.77 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.79 -33.8 37.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -82.57 -39.68 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.13 -45.63 75.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.28 93.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.723 HG23 ' OE1' ' A' ' 68' ' ' GLU . 67.6 mt -71.41 -41.7 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.714 HD21 HD11 ' A' ' 72' ' ' LEU . 77.0 mt -73.64 -14.0 61.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -34.27 77.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -74.2 -62.36 1.54 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.918 ' HA ' HD12 ' A' ' 42' ' ' LEU . 2.8 p -38.23 -47.34 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -41.85 -53.44 3.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.274 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.98 -29.77 75.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.918 HD12 ' HA ' ' A' ' 39' ' ' VAL . 3.1 mt -80.88 -20.2 42.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.496 ' OE2' ' CE ' ' A' ' 100' ' ' LYS . 4.6 tm-20 -69.8 -51.31 34.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -52.29 -33.42 42.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.38 -36.79 85.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.594 HG22 ' HB2' ' A' ' 101' ' ' LEU . 3.6 t -67.39 -66.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -43.17 -27.87 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -123.99 45.02 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.617 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 14.5 t80 -98.9 171.45 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.617 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 19.4 mt-10 -154.75 136.09 14.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 105' ' ' ALA . . . 135.61 -152.03 20.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.831 ' CA ' ' HB1' ' A' ' 105' ' ' ALA . 5.9 mmmt -132.02 -155.38 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.791 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.628 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 4.7 mtmp? -95.1 16.36 16.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' ASP . 58.9 p -122.06 -42.05 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' THR . 49.5 t0 -39.36 136.36 0.92 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -55.87 -27.94 54.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -62.69 -52.88 61.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.628 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 67.6 t80 -47.36 -45.78 25.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 59' ' ' LEU . 6.2 mp -66.22 -54.44 25.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.605 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 2.3 ttp -43.2 -40.5 3.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.491 HG22 ' CD2' ' A' ' 65' ' ' LEU . 33.1 mt -77.75 -53.13 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.439 ' CD ' ' C ' ' A' ' 62' ' ' GLU . 8.4 tm-20 -36.86 -46.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 3.6 pt-20 -70.3 -46.54 64.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.692 ' HB3' HD22 ' A' ' 42' ' ' LEU . 13.7 m-30 -50.81 -44.92 59.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.564 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -65.97 -77.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.633 ' OG1' HD11 ' A' ' 98' ' ' LEU . 1.2 m -35.74 -40.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.399 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -35.23 -50.69 0.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.723 ' OE1' HG23 ' A' ' 35' ' ' ILE . 7.0 mm-40 -69.43 -45.97 67.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.718 HD12 ' HB ' ' A' ' 94' ' ' VAL . 0.3 OUTLIER -42.45 -48.26 5.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.571 HD23 HG22 ' A' ' 66' ' ' THR . 3.8 mm? -67.49 -50.48 58.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.681 ' HB3' HG21 ' A' ' 35' ' ' ILE . . . -57.42 -18.9 20.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.714 HD11 HD21 ' A' ' 36' ' ' LEU . 56.3 mt -81.79 -25.47 35.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -87.54 -31.08 20.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.9 t -60.09 -17.92 43.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.429 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 77.9 t -80.82 128.13 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -109.01 103.38 52.04 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.03 -24.95 12.28 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 77.25 -64.12 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -171.69 32.17 0.13 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -99.53 123.63 43.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 0.801 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.92 -59.75 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -41.9 -36.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.428 ' CG1' ' HB3' ' A' ' 77' ' ' PRO . 39.8 t -82.19 -58.07 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -40.14 -37.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -67.3 -63.89 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.675 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -40.14 -56.21 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.429 ' NE ' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -49.09 -63.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.33 -57.27 4.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.06 -48.26 67.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.658 ' C ' HD13 ' A' ' 72' ' ' LEU . . . -56.18 -51.65 54.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.537 ' N ' HD13 ' A' ' 72' ' ' LEU . 25.2 t -58.53 -47.3 88.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -63.78 -34.3 77.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.28 -66.96 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.718 ' HB ' HD12 ' A' ' 69' ' ' LEU . 63.6 t -46.75 -55.06 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.355 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.488 ' CG ' HD11 ' A' ' 69' ' ' LEU . 15.2 mt-30 -38.9 -54.51 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.4 m -57.33 -42.13 81.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 94' ' ' VAL . 28.3 mt -66.25 -38.8 82.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.633 HD11 ' OG1' ' A' ' 66' ' ' THR . 8.5 mt -68.24 -36.96 80.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.82 -26.15 54.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.496 ' CE ' ' OE2' ' A' ' 43' ' ' GLU . 22.5 ttpt -70.86 -57.0 5.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.594 ' HB2' HG22 ' A' ' 46' ' ' VAL . 27.7 tp -41.35 -49.13 3.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -41.86 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -52.93 -33.92 52.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -61.6 -30.16 70.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.831 ' HB1' ' CA ' ' A' ' 52' ' ' LYS . . . -92.26 -42.26 9.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.499 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.0 t-80 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.674 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.01 -35.71 2.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.452 1.764 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.499 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -58.08 -34.56 73.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.665 HG13 ' HB2' ' A' ' 86' ' ' ALA . 48.6 t -76.88 -55.89 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 0.731 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 27' ' ' PRO . 5.2 mt -44.35 -35.43 2.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.467 ' HG2' HG12 ' A' ' 75' ' ' VAL . 3.9 tttt -41.08 -33.6 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.983 HG21 ' HB1' ' A' ' 86' ' ' ALA . 1.0 OUTLIER -88.13 -44.17 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.416 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 1.7 mt-10 -51.51 -35.87 42.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.75 -32.94 74.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 1.018 HG23 ' OE1' ' A' ' 68' ' ' GLU . 8.2 mt -82.5 -57.08 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.759 HD12 ' HG2' ' A' ' 93' ' ' LYS . 4.0 mm? -44.76 -36.9 3.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.46 -46.01 73.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -71.73 -45.96 60.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.82 HG21 HG22 ' A' ' 94' ' ' VAL . 72.0 t -44.36 -60.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -38.79 -45.98 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.29 -43.95 89.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.889 ' O ' HG13 ' A' ' 46' ' ' VAL . 30.9 mt -64.6 -53.32 49.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 0.74 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.478 ' O ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -55.71 -30.26 60.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -67.15 -28.94 68.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.12 -34.2 20.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.889 HG13 ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -72.99 -49.0 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.486 ' N ' ' CG2' ' A' ' 46' ' ' VAL . 6.5 t70 -50.38 -24.67 3.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.5 t -133.83 41.51 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.674 ' CD1' ' N ' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -94.68 168.62 10.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.956 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.674 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 2.1 mt-10 -149.17 133.9 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.253 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 138.77 -157.92 24.9 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.143 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.827 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.1 OUTLIER -133.5 -154.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.289 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.58 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 43.9 mttt -91.82 16.53 10.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.0 p -114.02 -42.96 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.353 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.45 121.76 6.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -44.55 36.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.65 -61.81 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.58 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 39.4 t80 -44.7 -49.86 10.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.433 ' N ' HD12 ' A' ' 59' ' ' LEU . 7.4 mp -52.91 -51.0 62.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.564 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.4 ttp -46.2 -45.94 17.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.762 HG22 HD13 ' A' ' 65' ' ' LEU . 38.5 mt -62.69 -66.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 61' ' ' ILE . 5.0 tm-20 -34.24 -62.95 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.55 -61.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.564 ' CD2' ' O ' ' A' ' 60' ' ' MET . 19.3 m-85 -51.62 -49.49 62.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.762 HD13 HG22 ' A' ' 61' ' ' ILE . 10.3 mp -47.64 -73.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' LEU . 3.1 m -50.73 -47.14 59.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.367 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -43.63 -38.74 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 1.018 ' OE1' HG23 ' A' ' 35' ' ' ILE . 67.4 mm-40 -72.72 -39.44 66.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.714 HD12 ' CG1' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -53.13 -52.28 59.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.413 ' N ' HD22 ' A' ' 70' ' ' LEU . 2.3 mm? -57.83 -28.9 64.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.58 -16.28 54.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.841 HD11 HG21 ' A' ' 94' ' ' VAL . 34.2 mt -83.69 -27.81 28.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -97.38 -17.09 19.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.2 t -64.31 -37.04 86.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.027 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.565 ' CG2' ' HD2' ' A' ' 87' ' ' ARG . 11.7 m -62.87 146.09 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -110.96 117.8 49.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.743 ' HA ' HG11 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -74.97 -25.83 11.54 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 65.84 10.11 6.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.239 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 109.79 -26.65 13.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -53.28 110.91 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.769 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 82' ' ' ASP . . . -54.4 -54.1 45.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 81' ' ' ALA . 3.8 m-20 -40.16 -50.32 2.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.743 HG11 ' HA ' ' A' ' 77' ' ' PRO . 61.6 t -61.92 -60.48 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.469 ' HG2' ' CG ' ' A' ' 77' ' ' PRO . 6.0 mtm105 -46.74 -46.54 20.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.361 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -43.52 -63.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.983 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -59.57 -50.5 73.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.565 ' HD2' ' CG2' ' A' ' 75' ' ' VAL . 0.5 OUTLIER -53.85 -21.1 6.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -96.8 -58.04 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.32 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -53.53 -47.96 69.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.403 ' HA3' HD21 ' A' ' 36' ' ' LEU . . . -54.66 -45.25 78.79 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.541 ' HA ' HD13 ' A' ' 72' ' ' LEU . 7.5 t -57.1 -42.88 80.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 0.771 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -66.73 -33.27 75.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.759 ' HG2' HD12 ' A' ' 36' ' ' LEU . 1.4 tptt -65.92 -51.45 58.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.841 HG21 HD11 ' A' ' 72' ' ' LEU . 86.9 t -61.61 -53.45 48.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -42.78 -59.01 2.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.127 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.4 m -41.42 -47.68 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.589 HD12 ' CG1' ' A' ' 39' ' ' VAL . 68.9 mt -58.07 -52.41 58.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.411 ' HG ' HD23 ' A' ' 65' ' ' LEU . 10.4 mt -48.25 -27.17 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -87.48 -27.79 22.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 97' ' ' ILE . 10.0 ptmt -78.05 -47.16 19.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.605 HD22 ' C ' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -64.13 -62.04 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.425 ' HA ' ' OH ' ' A' ' 58' ' ' TYR . 21.3 mt-10 -37.29 -41.11 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -71.44 -45.2 63.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.525 ' CE ' ' O ' ' A' ' 46' ' ' VAL . 5.4 mmmt -41.23 -48.41 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.827 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -65.2 -50.89 64.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.49 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 55.3 t-80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.851 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.2 Cg_endo -75.03 -38.75 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.777 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.527 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -56.37 -25.42 48.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.738 HG13 ' CB ' ' A' ' 86' ' ' ALA . 42.8 t -85.94 -54.65 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 0.736 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.2 mt -44.11 -35.48 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -50.83 -36.1 35.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.088 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.7 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -86.29 -46.97 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.46 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 1.7 mt-10 -55.08 -34.26 63.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.79 78.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.7 mt -81.05 -46.41 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.689 HD21 ' HA2' ' A' ' 90' ' ' GLY . 6.6 mt -48.18 -49.81 31.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.42 -36.84 10.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -75.31 -44.74 43.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.822 HG21 HG22 ' A' ' 94' ' ' VAL . 76.8 t -44.63 -61.59 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 39' ' ' VAL . 8.8 mm100 -37.53 -49.52 1.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.91 -45.6 55.84 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.428 1.08 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.674 ' O ' HG13 ' A' ' 46' ' ' VAL . 16.5 mt -62.87 -55.86 22.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.545 ' O ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -55.06 -32.96 62.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.443 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 21.1 mt-30 -63.41 -27.98 69.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -83.37 -40.57 19.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.977 HG12 HG21 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -65.78 -51.54 60.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.53 ' N ' ' CG2' ' A' ' 46' ' ' VAL . 2.9 t70 -56.97 -22.95 42.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.2 t -125.24 32.67 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.964 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.582 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 5.8 t80 -98.72 168.54 10.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.582 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 1.3 tt0 -150.63 127.2 10.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.63 -154.9 25.84 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.669 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -132.48 -164.46 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.737 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.623 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 14.6 mttt -81.54 3.69 24.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.94 -26.92 10.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 58' ' ' TYR . 52.4 t0 -51.79 128.07 22.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.06 -33.45 65.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -59.64 -54.25 48.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.623 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 40.9 t80 -46.01 -50.34 15.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 mp -53.6 -52.56 59.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.553 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 7.0 mtp -48.19 -48.43 34.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.977 HG21 HG12 ' A' ' 46' ' ' VAL . 39.9 mt -66.13 -45.41 90.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.4 1.063 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.555 ' HA ' HD12 ' A' ' 65' ' ' LEU . 9.5 tm-20 -54.05 -55.58 26.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -60.74 -37.14 80.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.587 ' HB3' HD22 ' A' ' 42' ' ' LEU . 1.4 m-85 -61.9 -59.87 4.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.727 HD13 ' HA ' ' A' ' 98' ' ' LEU . 5.6 mt -38.43 -40.75 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 69' ' ' LEU . 50.5 m -64.19 -50.63 67.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.428 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.754 ' HA ' HD12 ' A' ' 70' ' ' LEU . 4.9 mttt -38.43 -38.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.598 ' CD ' HD11 ' A' ' 42' ' ' LEU . 22.2 mp0 -83.11 -39.8 20.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.699 HD12 ' CG1' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -63.4 -45.67 89.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.92 HD22 ' C ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -73.2 -33.62 65.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.837 ' N ' HD13 ' A' ' 70' ' ' LEU . . . -71.53 -6.77 43.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.0 mt -95.54 -20.7 18.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -81.49 -26.62 35.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 t -67.51 -13.64 62.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.424 HG12 ' HD2' ' A' ' 87' ' ' ARG . 53.6 t -80.51 130.25 36.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -119.81 113.03 34.75 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.413 ' O ' ' CD ' ' A' ' 80' ' ' ARG . 18.3 Cg_endo -74.98 -35.85 2.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 71.35 8.87 6.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 108.85 59.28 0.53 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.413 ' CD ' ' O ' ' A' ' 77' ' ' PRO . 2.0 mtt180 -140.41 104.17 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 85' ' ' GLN . . . -45.44 -55.7 5.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.67 -61.78 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 28' ' ' GLY . 42.4 t -60.01 -56.82 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 87' ' ' ARG . 28.4 mtt-85 -43.72 -69.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' ARG . 0.9 OUTLIER -38.62 -58.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.738 ' CB ' HG13 ' A' ' 29' ' ' VAL . . . -55.56 -41.99 74.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -58.56 -33.1 69.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.66 -52.99 5.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -42.3 -57.77 2.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.689 ' HA2' HD21 ' A' ' 36' ' ' LEU . . . -54.82 -57.27 18.7 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.426 ' O ' ' CG ' ' A' ' 95' ' ' GLN . 35.3 t -51.39 -41.13 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -31.81 71.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.88 -55.8 6.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.822 HG22 HG21 ' A' ' 39' ' ' VAL . 10.8 t -55.14 -43.84 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.657 ' HG2' HD11 ' A' ' 69' ' ' LEU . 4.9 mm-40 -52.93 -56.79 13.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.6 m -52.44 -48.69 65.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.586 HD12 ' CG1' ' A' ' 39' ' ' VAL . 71.8 mt -55.0 -51.5 53.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.727 ' HA ' HD13 ' A' ' 65' ' ' LEU . 1.2 mt -47.15 -40.0 14.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.34 -25.87 58.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 97' ' ' ILE . 28.1 ttpt -70.57 -66.75 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.622 HD22 HG22 ' A' ' 61' ' ' ILE . 14.2 tp -37.37 -47.45 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.9 -66.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -56.14 -32.8 64.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.448 ' HD3' ' O ' ' A' ' 46' ' ' VAL . 1.5 mmpt? -61.53 -34.97 76.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.669 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -94.67 44.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.17 97.95 3.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.016 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.64 168.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.36 99.68 0.13 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.82 116.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 p -169.45 160.59 9.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.038 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.72 -169.55 42.29 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.53 81.33 0.27 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.565 0.803 . . . . 0.0 109.252 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 93.42 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.465 1.771 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.48 84.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -143.39 119.18 6.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.319 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 166.48 29.12 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.78 112.67 1.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.0 68.89 4.99 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.24 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 130.86 13.61 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.504 1.792 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -174.39 164.06 3.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 m -103.65 78.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.64 92.87 0.5 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -39.05 154.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 63.56 172.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 68.32 176.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.581 HG23 ' HD2' ' A' ' 23' ' ' PRO . 13.0 m -46.45 143.26 4.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.438 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.581 ' HD2' HG23 ' A' ' 22' ' ' THR . 18.1 Cg_endo -75.04 166.29 29.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 172.03 17.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.789 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 1.9 mmpt? -79.57 158.09 27.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.48 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.6 t-80 -82.64 139.78 44.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.582 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.3 Cg_endo -75.03 -36.63 2.42 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.463 1.77 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.48 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -60.1 -26.72 63.9 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 32' ' ' VAL . 93.6 t -86.81 -58.47 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -43.35 -35.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.453 ' O ' HD12 ' A' ' 35' ' ' ILE . 6.9 mttt -53.85 -42.25 68.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.836 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -79.33 -46.31 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 68.6 mt-10 -54.6 -32.3 58.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.84 -43.73 87.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 31' ' ' LYS . 6.8 mt -69.93 -56.21 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.788 HD22 ' HD3' ' A' ' 93' ' ' LYS . 7.8 mt -43.09 -50.6 6.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.74 -39.39 3.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 35' ' ' ILE . 4.6 mttp -74.31 -48.04 30.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.534 HG11 HG22 ' A' ' 94' ' ' VAL . 95.3 t -42.02 -53.06 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -39.22 -41.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.87 -45.24 93.12 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.116 . . . . 0.0 111.053 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' ' 64' ' ' TYR . 82.1 mt -65.06 -26.85 68.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.74 -51.55 18.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -47.11 -35.34 6.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.272 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -66.62 -46.47 75.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.835 HG22 ' HG ' ' A' ' 101' ' ' LEU . 24.2 t -58.9 -61.96 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -46.66 -27.16 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.67 40.51 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.583 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 45.3 t80 -104.29 171.63 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.583 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 20.7 tt0 -170.14 132.11 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 153.9 -128.19 2.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.908 ' CA ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -149.12 -171.8 3.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.614 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 8.5 mttt -86.69 -11.6 50.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.1 p -97.7 -40.45 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.411 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -40.11 147.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.656 ' HA ' HD12 ' A' ' 59' ' ' LEU . 2.6 tmtt? -66.65 -49.12 67.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.13 -45.18 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 1.003 ' CE1' HD13 ' A' ' 101' ' ' LEU . 75.9 t80 -63.9 -42.34 97.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 56' ' ' LYS . 49.7 mt -56.06 -41.45 75.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.593 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 37.0 mtp -58.37 -52.51 65.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 111.045 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.3 mt -67.79 -42.85 86.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -54.01 -55.65 25.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 4.1 pt-20 -63.61 -43.91 95.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 60' ' ' MET . 1.8 m-85 -56.9 -42.14 79.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.501 HD13 ' HG ' ' A' ' 98' ' ' LEU . 53.9 mt -59.75 -57.38 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.9 m -55.6 -45.22 77.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -41.01 -42.6 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.367 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -70.73 -42.08 71.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.281 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.744 HD21 ' HB ' ' A' ' 94' ' ' VAL . 19.2 mt -49.66 -59.91 3.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 mt -50.11 -37.03 32.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.27 -28.21 63.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.456 HD12 HD23 ' A' ' 69' ' ' LEU . 68.9 mt -77.18 -34.93 56.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.72 -39.19 37.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.0 t -47.48 -24.4 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.954 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.451 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 76.3 t -70.6 130.37 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -108.4 103.77 51.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 79' ' ' GLY . 18.3 Cg_endo -75.04 -28.29 9.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.81 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 69.0 -59.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' PRO . . . -177.73 40.16 0.09 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.473 1.108 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.07 115.45 25.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.31 -54.71 43.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.9 -36.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.3 t -84.18 -56.85 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -46.3 -56.37 5.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.556 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 4.5 pt20 -49.5 -49.27 46.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.836 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -59.94 -46.62 88.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.451 ' NE ' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -58.16 -61.5 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -27.56 29.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -76.42 -59.98 2.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.67 ' HA2' HD21 ' A' ' 36' ' ' LEU . . . -51.88 -45.36 55.82 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.7 t -64.16 -48.94 83.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -59.73 -33.94 72.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.788 ' HD3' HD22 ' A' ' 36' ' ' LEU . 2.0 tttt -64.06 -68.32 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.744 ' HB ' HD21 ' A' ' 69' ' ' LEU . 47.2 t -42.8 -52.39 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -44.49 -55.11 5.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 21.3 m -53.08 -34.54 57.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 94' ' ' VAL . 31.2 mt -68.91 -42.16 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.501 ' HG ' HD13 ' A' ' 65' ' ' LEU . 5.7 mt -62.95 -48.08 80.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.89 -28.88 69.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -79.11 -46.0 18.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.003 HD13 ' CE1' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -49.12 -68.67 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 103' ' ' GLN . 8.4 pt-20 -39.31 -40.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 102' ' ' GLU . 4.2 mm-40 -70.42 -47.72 59.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.48 ' HG3' HG13 ' A' ' 46' ' ' VAL . 2.8 mmpt? -54.26 -34.87 61.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.908 ' HB1' ' CA ' ' A' ' 52' ' ' LYS . . . -74.83 -40.88 60.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.5 t -77.32 0.08 23.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 115.16 133.24 5.39 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.74 6.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.463 1.77 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.7 t -173.06 98.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.04 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 55.9 p -169.62 106.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.961 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.119 . . . . 0.0 110.95 179.927 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.6 152.34 21.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.3 128.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.57 112.8 0.52 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.3 p -177.05 139.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 p -163.06 175.49 11.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.97 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.65 -152.17 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.541 1.151 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.45 68.01 20.48 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 177.83 8.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.76 111.06 4.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -130.02 116.28 17.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 168.46 24.79 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.44 1.758 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.645 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . -86.55 -164.91 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.834 ' HB3' ' HD3' ' A' ' 15' ' ' PRO . . . 166.81 -53.95 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.834 ' HD3' ' HB3' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -74.95 138.53 23.29 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.534 1.808 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.42 165.57 35.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 t -160.66 153.54 21.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.027 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.88 -72.67 0.29 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 175.96 145.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -176.76 166.53 2.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -43.78 155.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.2 m -130.1 93.78 32.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.378 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 167.89 26.01 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 127.55 10.76 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.77 ' HE2' HD21 ' A' ' 30' ' ' LEU . 1.1 pttm -142.71 -123.75 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.499 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.7 t-80 -108.49 138.07 20.13 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.621 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 26' ' ' HIS . 18.3 Cg_endo -75.07 -35.04 3.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.946 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.499 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -50.61 -37.32 33.47 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.507 HG13 ' CB ' ' A' ' 86' ' ' ALA . 22.0 t -78.86 -59.36 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.77 HD21 ' HE2' ' A' ' 25' ' ' LYS . 4.4 mt -44.67 -35.68 2.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -48.48 -28.57 3.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.601 ' HA ' HD12 ' A' ' 35' ' ' ILE . 0.8 OUTLIER -93.58 -47.66 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.467 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 13.4 mt-10 -48.49 -35.23 12.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.21 73.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.608 HG23 ' OE1' ' A' ' 68' ' ' GLU . 9.8 mt -82.49 -55.54 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.698 HD11 ' HA2' ' A' ' 90' ' ' GLY . 4.5 mm? -42.09 -48.83 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.59 -39.91 17.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 41' ' ' GLY . 3.3 mtpp -76.29 -48.64 19.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.428 ' CG1' ' CD1' ' A' ' 97' ' ' ILE . 74.5 t -42.86 -49.67 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -47.51 -38.54 14.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.345 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . -67.08 -29.73 74.92 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 39' ' ' VAL . 85.8 mt -82.95 -20.6 34.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -74.06 -57.82 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.478 ' CG ' ' N ' ' A' ' 45' ' ' ALA . 14.5 pt20 -44.89 -46.08 10.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.478 ' N ' ' CG ' ' A' ' 44' ' ' GLN . . . -54.52 -45.05 73.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.629 HG22 ' HB2' ' A' ' 101' ' ' LEU . 29.2 t -62.43 -67.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.26 -27.35 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -124.49 45.36 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' ALA . 45.2 t80 -99.31 157.73 16.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -142.45 129.27 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.78 -161.09 24.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.97 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 3.3 mmtt -121.88 -164.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.747 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.583 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 8.8 mttp -82.18 4.91 21.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.8 p -104.94 -47.11 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.442 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.03 134.25 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.73 -37.93 60.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -49.12 -48.9 44.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.583 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 82.5 t80 -55.36 -46.03 76.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.528 ' N ' HD12 ' A' ' 59' ' ' LEU . 5.7 mp -62.43 -51.3 68.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.516 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 18.0 mtp -47.33 -53.73 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.85 -41.62 90.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -52.41 -60.22 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 4.1 pt-20 -60.82 -45.19 95.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.516 ' CD2' ' O ' ' A' ' 60' ' ' MET . 1.2 m-85 -52.57 -43.53 65.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.666 HD13 ' HG ' ' A' ' 98' ' ' LEU . 68.6 mt -61.16 -63.09 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.9 m -47.96 -42.35 27.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -46.01 -37.96 7.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.608 ' OE1' HG23 ' A' ' 35' ' ' ILE . 41.6 mm-40 -74.31 -32.75 62.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.694 HD21 ' HB ' ' A' ' 94' ' ' VAL . 66.9 mt -61.58 -54.98 35.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.408 HD23 HG22 ' A' ' 66' ' ' THR . 3.9 mm? -56.04 -34.62 66.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.44 -25.51 62.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.465 ' HB3' HG23 ' A' ' 91' ' ' VAL . 8.4 mt -82.65 -32.09 28.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.49 -30.55 64.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.2 t -64.19 -17.81 63.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 68.9 t -80.12 123.66 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.28 107.59 59.76 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.479 ' CG ' ' HG2' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.07 -19.95 17.19 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 77' ' ' PRO . 3.3 mt-10 68.52 -62.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' PRO . . . 179.72 36.23 0.07 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.427 ' NH1' ' CD2' ' A' ' 26' ' ' HIS . 2.5 mtp180 -114.85 115.8 27.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 0.734 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.86 -50.84 69.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -43.01 -32.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 85' ' ' GLN . 17.0 t -94.78 -62.82 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.479 ' HG2' ' CG ' ' A' ' 77' ' ' PRO . 2.6 mtt180 -37.72 -30.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.463 ' NE2' HH12 ' A' ' 88' ' ' ARG . 2.5 tp60 -75.25 -74.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.507 ' CB ' HG13 ' A' ' 29' ' ' VAL . . . -41.41 -29.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.445 ' N ' ' C ' ' A' ' 85' ' ' GLN . 2.9 ttt-85 -75.41 -63.92 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.463 HH12 ' NE2' ' A' ' 85' ' ' GLN . 0.4 OUTLIER -56.73 -26.2 56.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -75.1 -41.65 58.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.698 ' HA2' HD11 ' A' ' 36' ' ' LEU . . . -65.59 -48.39 68.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.465 HG23 ' HB3' ' A' ' 72' ' ' LEU . 16.4 t -60.14 -43.13 92.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.477 0.751 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -64.79 -33.12 75.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -64.54 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.694 ' HB ' HD21 ' A' ' 69' ' ' LEU . 21.2 t -46.37 -57.37 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -38.86 -59.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.3 m -52.21 -46.8 65.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.404 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 94' ' ' VAL . 67.0 mt -56.53 -45.11 82.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.666 ' HG ' HD13 ' A' ' 65' ' ' LEU . 6.3 mt -64.98 -31.3 72.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -77.03 -18.29 58.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -84.28 -53.69 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.629 ' HB2' HG22 ' A' ' 46' ' ' VAL . 15.3 tp -48.77 -49.85 36.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 101' ' ' LEU . 30.7 mt-10 -37.79 -58.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.26 -41.0 94.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.258 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -55.17 -31.45 61.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.97 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -97.26 27.73 4.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 t -135.89 8.94 3.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -120.32 -173.84 15.13 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 141.57 26.87 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.53 1.805 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 89.0 p -109.59 177.91 4.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.056 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 71.5 m 62.82 118.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.036 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 p -139.74 92.6 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.949 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.0 p -171.73 167.01 6.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.81 81.22 0.25 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.47 99.29 3.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 110.041 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -171.56 170.29 5.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.955 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.12 -141.0 3.16 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -135.51 91.99 17.86 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 147.24 33.63 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.98 160.32 30.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -158.67 106.4 1.62 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.413 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 18.4 Cg_endo -74.96 163.5 35.28 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 12' ' ' PRO . . . 67.32 133.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.57 114.04 0.51 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -172.42 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.99 -37.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.31 172.45 6.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.959 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 168.71 -88.86 0.09 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.568 1.168 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 49.12 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -172.48 160.46 4.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.93 155.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 m -148.75 102.12 3.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 168.05 25.67 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 127.61 10.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.624 ' HE2' HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -111.4 -133.67 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.488 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 49.0 t-80 -101.16 135.7 19.86 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.542 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.529 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.2 Cg_endo -75.05 -34.44 3.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.488 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -55.43 -32.38 57.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.042 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.568 HG13 ' HB2' ' A' ' 86' ' ' ALA . 32.8 t -81.23 -58.6 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.624 HD21 ' HE2' ' A' ' 25' ' ' LYS . 4.6 mt -43.78 -36.04 2.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.562 ' O ' HD12 ' A' ' 35' ' ' ILE . 6.4 tttt -47.72 -33.04 6.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.649 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -87.52 -47.15 15.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.469 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 17.8 mt-10 -55.15 -41.89 72.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.4 -32.44 68.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 31' ' ' LYS . 20.8 mt -81.74 -54.6 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.517 HD21 ' HA2' ' A' ' 90' ' ' GLY . 7.7 mt -43.52 -38.81 3.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.2 -46.9 82.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -66.5 -40.26 89.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.849 HG22 ' CD ' ' A' ' 68' ' ' GLU . 73.0 t -50.43 -45.25 25.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -46.62 -36.66 7.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.49 -30.0 62.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.56 1.162 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.995 HD12 ' OE2' ' A' ' 68' ' ' GLU . 52.3 mt -85.4 -25.44 27.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.498 ' OE2' ' CE ' ' A' ' 100' ' ' LYS . 2.9 tm-20 -68.96 -46.69 67.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.43 ' CG ' ' N ' ' A' ' 45' ' ' ALA . 6.5 pt20 -56.03 -42.82 77.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' A' ' 44' ' ' GLN . . . -56.63 -36.63 69.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.956 HG22 ' HG ' ' A' ' 101' ' ' LEU . 9.9 t -68.87 -67.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -49.27 -22.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.0 t -118.86 37.19 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.58 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 58.7 t80 -97.89 172.16 7.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.58 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 4.7 pt-20 -165.18 125.59 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 147.22 -139.66 8.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.15 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.885 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -143.31 -172.69 3.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.614 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 2.9 mttp -83.26 3.35 31.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.9 p -109.28 -30.99 7.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.415 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -56.29 132.86 51.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -52.69 -39.32 61.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.25 -56.34 6.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.632 ' CD1' HD22 ' A' ' 101' ' ' LEU . 69.1 t80 -49.57 -49.18 47.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 59' ' ' LEU . 7.5 mp -56.42 -53.06 61.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.457 ' O ' ' CG ' ' A' ' 64' ' ' TYR . 3.9 ttp -46.92 -31.5 3.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' TYR . 97.2 mt -87.49 -54.96 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -39.33 -39.51 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 3.1 pt-20 -71.87 -44.18 64.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.573 ' HB3' HD22 ' A' ' 42' ' ' LEU . 17.0 m-30 -58.1 -40.43 81.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.484 HD21 HG22 ' A' ' 97' ' ' ILE . 6.7 mp -65.31 -78.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.739 ' HA ' HD12 ' A' ' 69' ' ' LEU . 1.8 m -36.98 -40.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.458 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.2 OUTLIER -37.45 -46.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.995 ' OE2' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -68.14 -50.04 57.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.739 HD12 ' HA ' ' A' ' 66' ' ' THR . 63.6 mt -42.88 -46.51 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.606 HD23 HG22 ' A' ' 66' ' ' THR . 4.4 mm? -63.45 -41.69 98.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' GLU . . . -67.91 -33.15 74.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.646 HD13 ' HA ' ' A' ' 91' ' ' VAL . 24.0 mt -67.12 -34.79 78.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -76.74 -36.74 56.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.4 t -55.06 -19.07 6.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.018 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 78.4 t -82.56 137.83 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -127.13 112.7 21.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.401 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.02 -33.28 4.68 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.466 1.772 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 67.11 21.68 10.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.45 -29.26 6.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -46.11 113.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.9 -52.08 47.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -48.67 -36.02 15.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.401 ' CG1' ' HB3' ' A' ' 77' ' ' PRO . 92.3 t -83.25 -51.17 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -50.57 -43.48 56.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -64.05 -60.81 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.649 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -41.59 -62.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -37.91 -52.72 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.285 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.71 -64.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -47.56 -56.49 7.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.517 ' HA2' HD21 ' A' ' 36' ' ' LEU . . . -49.72 -49.33 34.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.646 ' HA ' HD13 ' A' ' 72' ' ' LEU . 41.3 t -64.17 -56.65 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -49.97 -37.84 34.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.463 ' HB3' HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -56.13 -75.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.459 HG12 ' CD2' ' A' ' 98' ' ' LEU . 22.3 t -42.09 -45.49 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -48.8 -58.8 4.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.3 m -50.13 -38.28 38.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.388 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.625 HG22 HG21 ' A' ' 46' ' ' VAL . 13.2 mt -63.67 -46.46 94.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 98' ' ' LEU . 1.0 OUTLIER -53.68 -47.02 70.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.81 -24.86 66.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.498 ' CE ' ' OE2' ' A' ' 43' ' ' GLU . 13.0 ttpt -75.65 -58.92 2.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.956 ' HG ' HG22 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -39.84 -48.01 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.364 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 105' ' ' ALA . 3.6 mt-10 -47.84 -78.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 107' ' ' GLY . 0.0 OUTLIER -43.44 -38.34 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 2.8 mmpt? -57.7 -43.03 84.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.885 ' HB1' ' HA ' ' A' ' 52' ' ' LYS . . . -74.81 -44.63 48.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.092 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.407 ' HB2' ' CE ' ' A' ' 53' ' ' LYS . 23.3 t -74.05 -1.2 19.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.959 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 103' ' ' GLN . . . -123.7 149.61 16.89 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 149.94 37.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.548 1.815 . . . . 0.0 111.048 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.8 t -174.34 165.8 4.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.002 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.16 100.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 74.17 -69.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.003 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t 67.56 166.08 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.55 -56.07 0.36 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.93 134.87 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 110.028 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.3 p -177.74 163.1 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.462 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . -168.71 -108.73 0.21 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.49 1.118 . . . . 0.0 111.038 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 69.77 75.58 0.25 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.425 0.721 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -176.94 3.14 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.454 1.765 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 11' ' ' GLU . . . -170.11 169.0 8.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER 178.14 91.23 0.15 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 176.45 9.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.9 166.36 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.28 152.9 4.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 131.31 14.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.32 -93.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.9 170.71 18.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.047 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.492 ' O ' ' CG ' ' A' ' 19' ' ' GLU . . . -121.84 51.19 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 18' ' ' GLY . 7.4 pt-20 47.8 -175.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.761 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.21 155.14 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.85 141.39 13.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 1.0 OUTLIER -152.65 135.89 9.64 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.355 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 18.4 Cg_endo -74.97 171.87 17.47 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.467 1.772 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 127.11 10.39 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.548 1.815 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.591 ' HE2' HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -110.68 -134.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 109.344 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.485 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 55.7 t-80 -100.67 135.24 20.16 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.611 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.2 Cg_endo -75.04 -33.84 4.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.485 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -56.12 -30.41 57.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.667 HG13 ' CB ' ' A' ' 86' ' ' ALA . 39.6 t -82.95 -57.63 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.4 mt -43.64 -34.82 1.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.545 ' O ' HD12 ' A' ' 35' ' ' ILE . 6.7 mttt -50.56 -36.77 36.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.77 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -79.72 -47.76 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.47 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 30.2 mt-10 -56.33 -34.38 66.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.25 -34.62 76.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.751 HG23 ' OE2' ' A' ' 68' ' ' GLU . 6.8 mt -81.61 -54.41 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 36' ' ' LEU . 7.2 mt -40.44 -49.94 2.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -44.78 19.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' ILE . 0.5 OUTLIER -68.2 -49.78 58.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.693 HG11 HG22 ' A' ' 94' ' ' VAL . 62.8 t -44.52 -52.96 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -41.82 -52.7 3.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.32 -38.93 63.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.4 mt -73.5 -36.63 65.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.708 ' HB2' HD13 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -67.82 -34.94 77.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.43 -30.42 70.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.64 -29.41 65.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 1.042 HG22 HD13 ' A' ' 101' ' ' LEU . 2.7 t -72.74 -60.95 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -40.82 -31.17 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.9 m -121.93 50.48 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.493 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 9.2 t80 -109.89 163.56 13.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.493 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 2.2 tt0 -147.9 134.19 19.51 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.53 -158.83 24.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.823 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 11.5 mmtt -123.32 -151.66 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.626 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 15.8 mttp -100.75 15.56 27.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.6 p -116.88 -39.82 3.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.619 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.2 m-20 -47.57 137.4 9.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -34.87 37.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' MET . 2.8 ttmt -51.1 -60.1 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.626 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 57.7 t80 -43.74 -52.49 6.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.701 ' H ' HD22 ' A' ' 59' ' ' LEU . 1.0 OUTLIER -66.58 -27.57 67.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.618 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.5 ttp -66.13 -42.55 88.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.686 HG22 HD13 ' A' ' 65' ' ' LEU . 50.6 mt -77.14 -58.32 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.777 ' OE1' HD11 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -37.29 -61.07 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.349 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.62 -64.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.618 ' CD2' ' O ' ' A' ' 60' ' ' MET . 22.0 m-85 -47.71 -47.01 30.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.792 HD23 HD22 ' A' ' 98' ' ' LEU . 10.8 mp -54.26 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' LEU . 9.1 m -46.51 -44.86 18.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -43.65 -39.66 3.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.751 ' OE2' HG23 ' A' ' 35' ' ' ILE . 8.3 mm-40 -70.46 -39.83 74.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.745 HD12 HG11 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -47.76 -57.0 6.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mt -52.29 -34.33 46.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 68' ' ' GLU . . . -73.93 -26.03 60.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.409 HD13 ' C ' ' A' ' 90' ' ' GLY . 52.4 mt -78.74 -32.35 46.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.86 -35.66 22.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.1 t -49.39 -23.33 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.462 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 70.5 t -70.9 136.25 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -114.94 102.82 54.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -22.05 15.18 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.18 -61.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -174.48 36.58 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.434 ' NE ' ' HE2' ' A' ' 26' ' ' HIS . 6.1 mmt180 -102.3 143.48 32.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.39 -57.92 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.09 -33.13 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.457 HG22 ' CG2' ' A' ' 29' ' ' VAL . 18.6 t -84.37 -57.02 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -40.51 -41.92 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -61.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.77 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -41.78 -56.4 2.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.462 ' NE ' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -47.3 -55.37 8.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -53.79 -61.59 2.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.9 -55.44 11.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.593 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -46.8 -38.97 10.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.6 t -81.86 -33.33 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 92' ' ' ARG . 5.4 tpt180 -65.86 -33.12 75.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.417 ' HB3' HD21 ' A' ' 36' ' ' LEU . 37.7 tptt -66.63 -52.21 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.782 HG12 HD23 ' A' ' 98' ' ' LEU . 12.4 t -58.93 -56.38 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -38.58 -56.93 1.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.6 m -51.9 -49.64 62.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.383 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.708 HD13 ' HB2' ' A' ' 43' ' ' GLU . 26.0 mt -57.34 -43.75 82.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.792 HD22 HD23 ' A' ' 65' ' ' LEU . 2.6 mm? -55.83 -30.94 62.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -83.66 -27.56 29.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.817 ' CG ' HG11 ' A' ' 46' ' ' VAL . 2.8 ptmt -73.67 -44.88 55.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.042 HD13 HG22 ' A' ' 46' ' ' VAL . 46.3 tp -48.6 -58.33 4.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 105' ' ' ALA . 6.7 mt-10 -36.93 -66.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -45.43 -44.61 12.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -64.43 -34.63 78.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.823 ' HB1' ' O ' ' A' ' 52' ' ' LYS . . . -100.05 29.52 4.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 t -134.85 8.96 3.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 126.72 133.85 3.91 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 168.17 25.41 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.6 t -151.07 -58.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.961 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.6 t -50.88 -56.64 11.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.975 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.453 1.095 . . . . 0.0 110.99 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m 64.08 163.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 109.988 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.99 -165.09 1.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.11 -84.25 0.14 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 54.39 95.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.785 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 t 179.02 114.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.51 163.46 29.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.103 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.07 154.67 81.76 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 120.11 5.93 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.77 158.82 2.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -166.45 72.96 1.17 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.24 16.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.444 1.76 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.645 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . -176.29 139.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.841 ' HB3' ' HD3' ' A' ' 15' ' ' PRO . . . 166.03 -53.89 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.841 ' HD3' ' HB3' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.0 157.33 42.83 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -159.05 -82.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.7 167.03 23.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 164.22 65.14 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 26.1 mt-10 -91.21 133.47 35.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 0.734 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 19' ' ' GLU . . . -179.68 167.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.69 126.48 1.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -178.57 150.88 0.7 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.372 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 170.92 19.35 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 171.38 18.44 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 110.97 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.576 ' HD2' HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -124.63 -112.28 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.454 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 54.1 t-80 -101.31 136.62 19.62 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.563 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -74.99 -39.01 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.454 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -54.85 -27.22 43.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.426 ' O ' HG22 ' A' ' 32' ' ' VAL . 94.2 t -85.85 -59.08 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.576 HD21 ' HD2' ' A' ' 25' ' ' LYS . 4.0 mt -42.78 -33.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.52 ' O ' HD12 ' A' ' 35' ' ' ILE . 5.8 tttt -51.01 -36.99 42.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.62 HG21 ' HB1' ' A' ' 86' ' ' ALA . 1.0 OUTLIER -84.91 -48.17 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 39.3 mt-10 -52.78 -32.86 45.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.49 -38.86 88.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.52 HD12 ' O ' ' A' ' 31' ' ' LYS . 8.4 mt -76.37 -59.63 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.501 HD23 ' HA ' ' A' ' 36' ' ' LEU . 11.1 mt -40.29 -43.62 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -49.68 -46.86 50.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' ILE . 25.2 mtpt -70.03 -46.52 64.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.466 ' HA ' HD12 ' A' ' 42' ' ' LEU . 53.2 t -40.84 -55.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -38.92 -48.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.47 -46.54 92.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.742 HD22 ' HB3' ' A' ' 64' ' ' TYR . 8.5 mt -65.25 -24.51 67.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' VAL . 3.8 tm-20 -71.16 -53.27 15.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -43.33 -41.64 4.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.91 96.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.594 HG22 ' HB2' ' A' ' 101' ' ' LEU . 21.3 t -66.52 -50.75 64.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -60.82 -15.18 27.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.5 42.69 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.921 ' CE1' ' HB2' ' A' ' 105' ' ' ALA . 3.6 t80 -103.18 166.81 10.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.64 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 3.0 pt-20 -165.52 128.1 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 152.97 -135.35 4.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.861 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -143.21 -176.38 4.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.608 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 48.5 mttt -77.82 -11.47 59.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.8 p -92.48 -42.03 9.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.364 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -41.82 136.87 1.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 57' ' ' LYS . 23.4 tptt -54.43 -48.98 71.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' LYS . 1.3 tppt? -40.25 -61.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.608 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 89.1 t80 -42.51 -50.08 5.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.0 mp -57.43 -55.66 31.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.572 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.3 mtp -43.13 -48.95 6.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.9 mt -69.08 -43.23 81.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.4 ' CD ' ' C ' ' A' ' 62' ' ' GLU . 3.4 tm-20 -54.73 -53.57 53.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.341 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 2.8 pt-20 -64.01 -43.58 95.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.742 ' HB3' HD22 ' A' ' 42' ' ' LEU . 1.7 m-85 -58.34 -48.66 79.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.718 HD13 HD22 ' A' ' 98' ' ' LEU . 64.3 mt -54.05 -71.55 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.432 ' HA ' HD12 ' A' ' 69' ' ' LEU . 1.3 m -43.63 -42.92 5.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -38.92 -45.57 1.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.586 ' OE1' HD13 ' A' ' 42' ' ' LEU . 13.9 mp0 -68.1 -47.08 69.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.86 HD21 ' HB ' ' A' ' 94' ' ' VAL . 81.4 mt -41.82 -54.27 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 mt -53.19 -43.66 67.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' GLU . . . -66.2 -23.02 66.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.2 mt -85.36 -51.35 6.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.467 ' O ' ' NH2' ' A' ' 87' ' ' ARG . 0.2 OUTLIER -64.52 -21.97 66.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.4 t -70.72 -5.52 30.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.476 ' O ' ' CZ ' ' A' ' 87' ' ' ARG . 59.4 t -84.15 130.5 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -110.95 99.38 42.48 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 79' ' ' GLY . 18.4 Cg_endo -74.96 -28.38 9.3 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.464 1.77 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 77' ' ' PRO . 0.3 OUTLIER 68.94 -59.07 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 77' ' ' PRO . . . -176.08 43.83 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -117.85 97.78 6.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 82' ' ' ASP . . . -40.14 -57.47 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 81' ' ' ALA . 0.6 OUTLIER -39.64 -49.58 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.347 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 84' ' ' ARG . 13.9 t -76.24 -62.33 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' VAL . 25.8 mtp180 -36.79 -41.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ARG . 1.0 OUTLIER -71.0 -66.63 0.59 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.244 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.62 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -44.94 -59.1 2.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.476 ' CZ ' ' O ' ' A' ' 75' ' ' VAL . 49.7 ttt180 -48.13 -26.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' GLN . 1.2 mtt-85 -82.4 -61.95 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -50.89 -22.21 2.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.86 -67.37 2.0 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.516 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 14.8 m -56.59 -34.5 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -60.17 -44.43 95.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.435 ' CE ' HD11 ' A' ' 97' ' ' ILE . 3.5 tptt -53.47 -60.58 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.86 ' HB ' HD21 ' A' ' 69' ' ' LEU . 13.0 t -47.4 -54.93 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -42.23 -52.01 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.9 m -57.71 -41.39 81.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 94' ' ' VAL . 57.1 mt -61.89 -41.74 91.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.718 HD22 HD13 ' A' ' 65' ' ' LEU . 2.1 mm? -56.98 -51.38 69.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -54.28 -37.44 64.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 101' ' ' LEU . 4.8 mtpt -61.44 -71.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.719 HD11 ' CD2' ' A' ' 49' ' ' PHE . 31.4 tp -40.52 -53.02 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -38.36 -57.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -34.38 78.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 101' ' ' LEU . 28.8 mmmt -60.42 -57.61 12.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.921 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . . . -84.28 48.08 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.66 5.58 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 163.45 164.51 18.71 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 128.81 11.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.2 t -149.6 -49.71 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.993 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 89.1 p -118.82 155.22 31.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.553 1.158 . . . . 0.0 111.038 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -163.71 170.53 16.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.4 p -155.86 170.75 21.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.68 153.73 5.96 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -178.68 125.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.82 154.08 0.31 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.082 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.71 157.85 7.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.59 67.8 24.64 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.444 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 18.3 Cg_endo -74.95 -177.29 3.36 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.056 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 178.16 60.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -171.47 115.65 0.43 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 1.53 7.62 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.83 140.38 1.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -179.18 70.79 0.19 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -177.14 3.27 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.02 -175.16 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.11 168.93 24.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.019 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.47 -95.07 0.21 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 55.55 -176.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.777 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.37 -171.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -40.56 137.03 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.429 HG23 ' HD2' ' A' ' 23' ' ' PRO . 1.3 m -128.52 138.52 33.24 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.406 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.429 ' HD2' HG23 ' A' ' 22' ' ' THR . 18.3 Cg_endo -74.97 173.0 15.25 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.498 1.788 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 127.04 10.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 111.04 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.04 -133.09 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.443 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 62.7 t-80 -101.33 137.79 19.75 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.626 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.735 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.2 Cg_endo -75.02 -35.82 2.9 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.58 1.831 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.443 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -55.02 -36.65 61.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.531 HG13 ' CB ' ' A' ' 86' ' ' ALA . 39.6 t -74.77 -59.08 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 27' ' ' PRO . 5.2 mt -39.92 -35.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.613 ' HG2' HG12 ' A' ' 75' ' ' VAL . 1.6 tttt -42.36 -35.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.012 HG21 ' HB1' ' A' ' 86' ' ' ALA . 1.2 m -84.32 -43.68 17.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.411 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 2.4 mt-10 -53.41 -34.26 57.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.73 -33.44 75.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.791 HG22 ' HB3' ' A' ' 68' ' ' GLU . 13.1 mt -81.42 -54.72 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.088 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 36' ' ' LEU . 8.8 mt -43.14 -37.54 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -45.65 -41.99 10.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.488 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -69.46 -49.0 59.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.587 ' CG2' HG22 ' A' ' 94' ' ' VAL . 84.0 t -45.81 -37.55 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -55.9 -31.92 63.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . -74.75 -27.68 64.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.752 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -91.18 -30.71 16.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 0.735 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -66.52 -43.35 85.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -71.65 -28.87 64.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -72.51 -48.81 37.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.747 HG22 ' HG ' ' A' ' 101' ' ' LEU . 11.0 t -56.24 -59.44 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.78 -35.34 4.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.95 49.05 1.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.964 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 31.0 t80 -107.98 163.06 13.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 4.9 tt0 -156.38 132.61 9.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 152.91 -131.02 3.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.9 ' CA ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -154.5 -171.34 3.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.613 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 5.0 mtmt -90.81 2.89 55.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.7 p -114.11 -19.1 11.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.392 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.38 159.94 17.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -75.24 -54.02 7.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -40.53 -46.9 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 1.018 ' CE1' HD13 ' A' ' 101' ' ' LEU . 63.5 t80 -54.81 -46.95 74.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.26 -34.25 73.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.454 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.2 ttp -60.26 -48.48 81.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.8 mt -66.55 -44.48 90.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -50.75 -66.13 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.35 -58.92 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.693 ' CB ' HD11 ' A' ' 42' ' ' LEU . 14.0 m-85 -51.68 -61.54 2.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.561 ' HB3' HD21 ' A' ' 98' ' ' LEU . 55.7 mt -39.38 -63.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.778 ' HA ' HD12 ' A' ' 69' ' ' LEU . 3.4 m -57.89 -48.41 79.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 110.393 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' THR . 58.5 mttt -39.82 -48.65 2.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.791 ' HB3' HG22 ' A' ' 35' ' ' ILE . 5.8 mm-40 -63.98 -42.44 97.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.793 HD21 ' HB ' ' A' ' 94' ' ' VAL . 47.1 mt -52.38 -58.0 8.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.449 HD23 HG22 ' A' ' 66' ' ' THR . 4.2 mm? -47.36 -39.11 14.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.659 ' C ' HD13 ' A' ' 35' ' ' ILE . . . -73.02 -32.91 65.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' LEU . 18.5 mt -65.03 -30.71 71.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -94.54 -17.61 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.8 t -61.8 -39.81 93.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.648 HG22 ' HD2' ' A' ' 87' ' ' ARG . 4.7 m -61.88 143.91 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.3 118.2 46.14 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.59 ' HA ' HG11 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.02 -20.34 16.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.555 1.819 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.446 ' OE1' ' NH1' ' A' ' 80' ' ' ARG . 16.2 mt-10 75.91 -66.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -173.88 33.69 0.11 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.446 ' NH1' ' OE1' ' A' ' 78' ' ' GLU . 0.5 OUTLIER -114.6 157.97 22.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.44 -42.76 8.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 1.178 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.29 -42.1 60.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.59 HG11 ' HA ' ' A' ' 77' ' ' PRO . 30.7 t -69.47 -55.82 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 88' ' ' ARG . 59.3 mtp180 -52.85 -47.17 67.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -44.24 -61.86 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 1.012 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -61.39 -48.9 79.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.648 ' HD2' HG22 ' A' ' 75' ' ' VAL . 0.8 OUTLIER -56.8 -18.51 13.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 84' ' ' ARG . 1.5 ttt180 -100.68 -35.36 9.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -68.3 -64.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.408 ' C ' HD13 ' A' ' 72' ' ' LEU . . . -43.88 -31.81 2.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 87' ' ' ARG . 75.8 t -70.92 -52.58 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.99 -24.69 59.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.566 ' HE2' HD11 ' A' ' 97' ' ' ILE . 6.0 tptm -65.54 -66.4 0.55 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.793 ' HB ' HD21 ' A' ' 69' ' ' LEU . 15.0 t -46.15 -51.3 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -43.73 -50.42 7.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.5 m -58.83 -31.96 68.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.602 HG22 HG21 ' A' ' 46' ' ' VAL . 29.6 mt -71.22 -39.95 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.591 ' CD2' HG12 ' A' ' 94' ' ' VAL . 2.5 mm? -63.08 -48.79 77.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.23 -21.41 65.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.457 ' O ' ' CG ' ' A' ' 104' ' ' LYS . 15.7 ttpp -89.97 -48.7 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.018 HD13 ' CE1' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -42.2 -55.96 3.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 105' ' ' ALA . 5.3 mt-10 -46.64 -73.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 107' ' ' GLY . 34.2 mt-30 -39.9 -45.63 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 1.4 mmpt? -54.89 -48.35 73.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.239 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.9 ' HB1' ' CA ' ' A' ' 52' ' ' LYS . . . -66.13 -39.28 89.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.5 t -81.9 4.52 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 103' ' ' GLN . . . -84.32 -149.2 9.88 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.8 3.71 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.531 1.806 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 68.0 m -167.07 87.6 0.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.042 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.2 t -130.6 80.14 1.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 p -171.8 131.35 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.23 165.05 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.98 178.82 46.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 p -178.67 172.53 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.961 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -177.46 167.86 2.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.031 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.52 -155.47 31.9 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -161.21 68.47 2.45 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.536 0.786 . . . . 0.0 109.294 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -164.72 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.481 1.78 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.16 73.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -150.64 133.59 8.55 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 11' ' ' GLU . 18.1 Cg_endo -75.04 -174.62 2.01 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.526 ' HB3' HG21 ' A' ' 96' ' ' THR . . . -175.4 -178.31 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.15 151.27 27.4 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.41 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 18.4 Cg_endo -74.95 177.11 9.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 15' ' ' PRO . 1.7 mttt -166.37 142.08 4.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.7 p -161.63 165.54 28.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 149.63 59.85 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.532 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 1.1 pm0 -92.99 135.68 33.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 0.778 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 19' ' ' GLU . . . 173.91 -175.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.02 106.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.445 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 1.2 m -161.39 134.6 4.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.406 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 18.2 Cg_endo -75.06 163.75 34.61 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.465 1.771 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 145.58 31.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.45 -97.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.453 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 64.3 t-80 -110.85 139.37 21.63 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.585 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.591 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.0 -36.58 2.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.78 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.453 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -58.25 -34.02 72.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.549 1.156 . . . . 0.0 111.047 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.608 ' O ' HG13 ' A' ' 32' ' ' VAL . 82.6 t -76.3 -56.99 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 27' ' ' PRO . 7.2 mt -43.79 -36.54 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.483 ' O ' HD12 ' A' ' 35' ' ' ILE . 4.8 tttt -45.5 -29.51 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.797 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.9 OUTLIER -87.46 -46.59 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.457 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 6.3 mt-10 -56.21 -33.12 65.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.29 -32.53 72.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.824 HG21 ' HG ' ' A' ' 72' ' ' LEU . 20.6 mt -81.88 -54.62 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 36' ' ' LEU . 8.3 mt -43.86 -36.86 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -50.41 -38.3 42.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.505 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 25.6 mttt -72.93 -48.54 36.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.501 ' CG1' ' CD1' ' A' ' 97' ' ' ILE . 93.5 t -46.55 -36.68 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.178 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -57.54 -31.08 65.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 110.261 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.87 -25.44 69.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.698 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -94.22 -34.49 12.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.745 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.609 ' HB2' HD13 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -69.34 -39.6 78.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.255 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.31 -24.89 62.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -80.29 -39.5 28.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.473 HG22 HD13 ' A' ' 101' ' ' LEU . 10.9 t -62.78 -52.99 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -57.99 -19.3 29.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.46 16.73 15.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.763 ' CD2' HD12 ' A' ' 101' ' ' LEU . 43.6 t80 -94.16 138.98 31.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -138.27 21.27 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.43 ' HA3' ' CE1' ' A' ' 49' ' ' PHE . . . -82.14 -142.28 3.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.781 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.2 OUTLIER -147.81 -170.79 3.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.771 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.419 ' N ' ' HB1' ' A' ' 105' ' ' ALA . 8.4 mttt -84.74 7.15 21.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.5 p -114.12 -32.9 5.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -54.16 155.75 3.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.471 ' HA ' HD12 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -72.44 -43.55 63.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -46.19 -48.77 17.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.567 ' CE1' ' HG ' ' A' ' 101' ' ' LEU . 67.5 t80 -55.7 -41.2 73.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 56' ' ' LYS . 13.2 mt -69.26 -33.6 73.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.599 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 3.2 mtp -68.93 -45.48 70.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.657 HG22 HD22 ' A' ' 101' ' ' LEU . 47.3 mt -67.38 -31.46 53.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -70.53 -53.03 17.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.255 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 2.8 pt-20 -55.5 -44.75 76.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 60' ' ' MET . 21.2 m-85 -67.02 -60.8 2.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.503 HD22 HG13 ' A' ' 94' ' ' VAL . 34.8 mt -38.11 -50.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.2 m -65.05 -46.21 82.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.438 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 64' ' ' TYR . 25.1 mttp -45.19 -41.73 8.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.622 ' OE1' HG23 ' A' ' 35' ' ' ILE . 53.6 mm-40 -70.13 -33.59 72.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.911 HD21 ' HB ' ' A' ' 94' ' ' VAL . 30.8 mt -61.92 -58.34 8.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -51.43 -35.36 39.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.37 -26.3 61.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.824 ' HG ' HG21 ' A' ' 35' ' ' ILE . 36.1 mt -79.65 -28.63 40.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -78.02 -37.62 46.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -57.06 -17.33 9.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 75.6 t -82.63 121.25 35.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -113.94 111.89 47.84 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -22.92 14.2 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 73.74 -63.94 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -164.94 31.37 0.23 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -105.61 130.89 53.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 110.341 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.92 -43.25 18.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.13 -30.52 59.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.56 ' HA ' HG22 ' A' ' 29' ' ' VAL . 39.9 t -86.17 -48.24 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.26 -47.63 68.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.549 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 6.4 pt20 -56.92 -48.92 77.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.797 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -64.84 -44.45 89.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -43.65 97.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -60.02 -49.38 77.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER -62.32 -35.69 79.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.257 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.526 ' C ' HD13 ' A' ' 72' ' ' LEU . . . -52.29 -60.95 7.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.486 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 3.2 m -68.08 -48.74 73.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.738 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.456 ' N ' ' CG2' ' A' ' 91' ' ' VAL . 0.2 OUTLIER -52.13 -35.88 49.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.494 ' CE ' HD11 ' A' ' 97' ' ' ILE . 6.2 tptm -63.22 -48.1 79.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.911 ' HB ' HD21 ' A' ' 69' ' ' LEU . 19.0 t -65.25 -57.77 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 94' ' ' VAL . 28.2 mt-30 -36.63 -44.65 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.526 HG21 ' HB3' ' A' ' 13' ' ' ALA . 14.3 m -67.03 -51.88 49.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.609 HD13 ' HB2' ' A' ' 43' ' ' GLU . 12.9 mt -57.58 -40.97 77.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.8 mt -58.76 -46.16 88.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -31.88 72.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.41 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 1.2 mtpt -65.63 -60.71 2.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.763 HD12 ' CD2' ' A' ' 49' ' ' PHE . 52.5 tp -40.56 -49.15 2.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -42.57 -70.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -60.01 -45.98 90.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -46.5 -40.31 12.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.781 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -63.98 -41.44 97.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.7 m -78.71 1.94 21.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 112.04 158.77 14.52 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -38.04 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.473 1.775 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.1 p -40.86 103.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.01 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 42.9 m -72.05 171.1 12.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.971 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -159.27 138.15 11.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 110.042 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -154.8 144.94 21.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.72 114.8 1.99 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.11 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.22 164.65 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.69 158.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.22 -172.41 32.63 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.02 91.55 1.37 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 143.06 28.45 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.462 1.769 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.18 77.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -176.48 167.89 1.41 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.98 5.52 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.25 176.75 8.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 65.13 91.2 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -178.03 3.87 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -114.06 166.66 11.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.7 m -156.24 160.66 40.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.02 66.19 0.04 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -70.23 134.58 48.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -163.66 -175.68 4.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.79 163.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.7 m -134.44 92.33 20.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 173.64 14.14 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.563 1.822 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 126.09 9.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HE2' HD21 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -138.23 -129.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.48 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 62.3 t-80 -101.36 138.52 19.94 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.641 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.706 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.4 Cg_endo -75.02 -36.34 2.59 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.468 1.773 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.502 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -51.94 -34.53 38.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.82 HG13 ' CB ' ' A' ' 86' ' ' ALA . 31.3 t -79.54 -54.92 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.361 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 27' ' ' PRO . 6.0 mt -45.76 -36.86 5.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.38 -34.51 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.742 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.9 OUTLIER -83.84 -46.48 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.457 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 2.1 mt-10 -54.62 -36.07 64.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.22 -32.97 73.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.457 ' CG2' ' HB3' ' A' ' 68' ' ' GLU . 19.6 mt -85.29 -46.08 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.595 HD22 ' HG2' ' A' ' 93' ' ' LYS . 15.5 mt -49.71 -36.82 26.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -39.8 89.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.5 -35.04 60.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' LEU . 42.7 t -50.77 -46.48 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -46.21 -43.4 15.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.98 -28.13 72.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.717 HD22 ' HB3' ' A' ' 64' ' ' TYR . 65.9 mt -86.87 -22.1 25.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.498 ' HB2' HD13 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -86.15 -35.26 20.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.436 ' CG ' ' N ' ' A' ' 45' ' ' ALA . 11.0 pt20 -65.23 -43.78 90.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -58.71 -32.04 68.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.949 HG22 HD13 ' A' ' 101' ' ' LEU . 4.6 t -66.83 -61.31 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -48.08 -25.78 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.5 t -92.29 -28.49 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.609 ' CE2' ' HB2' ' A' ' 105' ' ' ALA . 49.2 t80 -65.47 151.9 45.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -154.84 22.34 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.53 -136.92 0.44 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.998 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.1 OUTLIER -143.79 -171.52 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.584 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 14.1 mttp -83.35 5.13 24.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -110.87 -50.08 2.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -41.82 138.63 1.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -58.59 -42.88 89.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.84 -56.99 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.584 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 63.3 t80 -50.07 -47.29 53.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 111.034 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 59' ' ' LEU . 7.3 mp -62.91 -52.8 61.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.605 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 2.2 ttp -45.71 -42.98 12.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.824 HG22 ' CD1' ' A' ' 65' ' ' LEU . 32.8 mt -77.46 -43.11 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -48.38 -44.4 34.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.469 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 2.4 pt-20 -72.12 -41.95 66.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.717 ' HB3' HD22 ' A' ' 42' ' ' LEU . 12.1 m-30 -56.53 -39.87 74.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.927 HD21 HG22 ' A' ' 97' ' ' ILE . 10.4 mp -62.16 -77.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.926 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.1 m -37.5 -42.9 0.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.409 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' THR . 17.9 mttp -39.73 -44.59 1.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.36 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.457 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 5.8 mm-40 -67.65 -45.02 76.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.926 HD12 ' HA ' ' A' ' 66' ' ' THR . 10.3 mt -46.78 -50.72 17.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 74' ' ' SER . 3.6 mm? -58.76 -38.35 78.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.71 -20.22 59.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.501 HD13 ' C ' ' A' ' 90' ' ' GLY . 33.1 mt -89.97 -25.83 20.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -98.95 -15.94 18.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' LEU . 13.9 t -66.1 -37.73 86.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.571 HG22 ' HD2' ' A' ' 87' ' ' ARG . 5.3 m -66.64 141.51 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -112.7 117.63 46.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.432 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.02 -22.03 15.2 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.01 32.27 21.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.9 -21.26 44.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -53.5 97.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 0.781 . . . . 0.0 110.335 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.75 -47.02 71.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.88 -43.56 63.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.581 ' HA ' HG22 ' A' ' 29' ' ' VAL . 64.6 t -74.2 -51.07 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.432 ' HG3' ' CG ' ' A' ' 77' ' ' PRO . 4.4 mtt180 -49.22 -48.3 45.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 89' ' ' ASP . 1.1 tt0 -51.19 -59.39 4.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.82 ' CB ' HG13 ' A' ' 29' ' ' VAL . . . -59.2 -36.34 75.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.571 ' HD2' HG22 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -64.03 -41.95 97.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -22.76 37.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 85' ' ' GLN . 41.1 t0 -79.03 -45.89 19.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.611 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -56.69 -47.81 82.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.524 ' HA ' HD23 ' A' ' 69' ' ' LEU . 34.7 m -60.32 -44.65 96.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.763 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 23.3 ttt-85 -56.28 -44.88 80.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 110.344 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.595 ' HG2' HD22 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -55.55 -47.77 75.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 90' ' ' GLY . 11.3 t -64.91 -53.19 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -40.56 -58.16 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 99' ' ' GLU . 3.1 m -50.46 -56.46 11.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.927 HG22 HD21 ' A' ' 65' ' ' LEU . 55.0 mt -47.51 -49.5 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.469 ' HG ' ' CD2' ' A' ' 65' ' ' LEU . 4.2 mt -55.84 -27.97 54.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 96' ' ' THR . 2.8 tt0 -82.73 -28.36 30.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.87 ' CG ' HG11 ' A' ' 46' ' ' VAL . 3.6 ptmt -72.74 -44.01 62.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.949 HD13 HG22 ' A' ' 46' ' ' VAL . 12.2 tp -52.07 -57.31 9.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 101' ' ' LEU . 54.0 mt-10 -37.39 -57.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -53.36 -41.89 66.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 110.336 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -61.2 -38.44 86.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.998 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -96.96 36.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -135.87 8.8 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -157.05 154.98 25.99 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -167.15 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.1 t -65.13 144.36 57.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.1 p -135.09 137.49 42.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t 63.33 114.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.991 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 p 179.15 128.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.021 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.15 134.83 4.99 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.69 167.72 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 110.013 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 m 58.09 160.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.966 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.36 144.92 4.55 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.83 67.46 12.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.335 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -58.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.533 1.807 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 65.69 165.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 68.71 91.85 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -177.19 3.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -159.91 170.75 20.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -179.19 92.33 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -174.69 2.02 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.58 133.04 11.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -178.24 135.26 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -112.58 -81.48 1.1 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.448 1.093 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -178.91 140.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 110.3 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 19' ' ' GLU . . . -179.82 164.06 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -39.92 115.04 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.457 HG23 ' HD2' ' A' ' 23' ' ' PRO . 1.3 m -158.6 139.96 9.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.457 ' HD2' HG23 ' A' ' 22' ' ' THR . 18.2 Cg_endo -75.02 173.17 14.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.563 1.823 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 127.29 10.59 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.94 -136.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.488 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 63.6 t-80 -97.99 137.62 20.9 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.616 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.705 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -74.98 -37.46 2.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.529 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -54.61 -29.03 47.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.933 HG13 ' HB2' ' A' ' 86' ' ' ALA . 59.5 t -82.97 -56.67 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.774 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.8 mt -43.83 -35.66 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -48.05 -35.19 10.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.807 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -82.76 -46.5 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.447 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 11.3 mt-10 -51.27 -34.65 33.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.22 89.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.518 HD13 ' C ' ' A' ' 71' ' ' ALA . 12.7 mt -77.9 -49.19 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.598 ' CD2' HD21 ' A' ' 72' ' ' LEU . 3.9 mm? -48.36 -35.12 11.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -48.18 82.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' C ' ' OE2' ' A' ' 68' ' ' GLU . 4.0 mtpp -61.26 -36.62 80.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.543 ' HA ' HD23 ' A' ' 42' ' ' LEU . 98.9 t -56.62 -33.22 39.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.468 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 8.6 mt-30 -55.64 -30.8 61.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.98 -26.69 68.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.631 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.4 mm? -91.28 -37.16 13.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.439 0.729 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.693 ' HB2' HD13 ' A' ' 97' ' ' ILE . 0.2 OUTLIER -72.72 -42.59 63.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.468 ' CG ' ' O ' ' A' ' 40' ' ' GLN . 12.9 mm100 -64.29 -31.74 73.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' SER . . . -74.45 -40.12 62.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.896 HG11 ' CG ' ' A' ' 100' ' ' LYS . 4.9 t -58.12 -64.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -44.08 -27.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 45' ' ' ALA . 23.4 t -125.08 46.61 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.52 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 2.9 t80 -116.77 165.53 13.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.52 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 2.0 tt0 -160.07 134.3 7.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 159.74 -131.97 2.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.662 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -154.9 -170.88 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.597 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 1.6 mtmp? -88.59 5.69 41.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 71.5 p -114.44 -30.19 6.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.06 156.57 2.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -80.3 -32.85 38.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -40.7 80.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.982 ' CE1' HD13 ' A' ' 101' ' ' LEU . 56.2 t80 -64.38 -43.39 94.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 56' ' ' LYS . 22.9 mt -59.14 -35.2 73.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.595 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 3.3 mtp -58.89 -50.69 73.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.511 HG21 HG23 ' A' ' 46' ' ' VAL . 12.1 mt -72.25 -36.54 56.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.606 ' OE1' ' CE2' ' A' ' 58' ' ' TYR . 2.3 tt0 -64.43 -50.39 67.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.477 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 4.5 pt-20 -61.7 -44.53 96.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.344 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 60' ' ' MET . 3.1 m-85 -59.95 -65.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 64' ' ' TYR . 26.4 mt -34.11 -56.34 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' LEU . 3.1 m -57.08 -48.69 77.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.425 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 64' ' ' TYR . 18.5 mttm -47.78 -34.21 8.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.489 ' OE2' ' N ' ' A' ' 39' ' ' VAL . 18.0 mt-10 -74.37 -33.03 62.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.87 HD12 HG11 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -58.76 -55.92 28.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.3 mt -51.35 -33.01 27.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.518 ' C ' HD13 ' A' ' 35' ' ' ILE . . . -69.59 -28.26 65.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.598 HD21 ' CD2' ' A' ' 36' ' ' LEU . 17.4 mt -81.56 -29.41 33.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.367 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.12 -39.55 33.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.8 t -53.55 -19.9 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.7 t -74.02 126.96 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -110.26 113.47 56.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.475 ' O ' ' CD ' ' A' ' 80' ' ' ARG . 18.2 Cg_endo -75.02 -32.42 5.37 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 64.43 11.47 6.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 101.87 50.36 1.18 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.475 ' CD ' ' O ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -126.18 101.36 6.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 0.792 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 85' ' ' GLN . . . -39.74 -55.24 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.97 -63.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.529 HG13 ' O ' ' A' ' 28' ' ' GLY . 4.2 t -61.5 -56.19 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -43.56 -31.53 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.454 ' CD ' ' N ' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -76.22 -69.5 0.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.933 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -39.32 -32.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -72.3 -67.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.55 -34.88 12.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.69 -54.83 5.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.466 ' HA2' HD11 ' A' ' 36' ' ' LEU . . . -42.41 -59.86 2.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.9 m -54.11 -45.5 65.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.355 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -46.82 42.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -56.42 -49.62 74.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.87 HG11 HD12 ' A' ' 69' ' ' LEU . 59.9 t -64.71 -56.75 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -38.9 -54.84 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.2 m -54.55 -56.84 14.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.366 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.693 HD13 ' HB2' ' A' ' 43' ' ' GLU . 40.5 mt -48.04 -53.66 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 98' ' ' LEU . 7.9 mt -49.08 -35.26 15.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.89 -29.5 50.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.256 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.896 ' CG ' HG11 ' A' ' 46' ' ' VAL . 1.1 ptmt -74.32 -39.09 63.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.982 HD13 ' CE1' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -51.89 -55.33 20.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 105' ' ' ALA . 7.2 mt-10 -38.49 -69.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -42.15 -40.74 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.575 ' HG3' HG13 ' A' ' 46' ' ' VAL . 2.5 mmpt? -65.16 -44.19 89.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.662 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -92.43 33.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.42 5.91 4.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 152.09 169.94 18.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 163.28 35.69 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.8 t -167.98 -56.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.3 p -93.07 -54.2 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.436 1.085 . . . . 0.0 111.02 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.42 128.35 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 0.806 . . . . 0.0 109.997 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 t -172.58 160.64 4.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.963 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.42 -49.84 0.57 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -42.82 -63.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.002 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 p 52.02 177.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.46 178.38 43.83 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.609 ' HB1' ' HD2' ' A' ' 9' ' ' PRO . . . -97.64 168.18 10.54 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.481 0.754 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.609 ' HD2' ' HB1' ' A' ' 8' ' ' ALA . 18.2 Cg_endo -75.03 153.79 41.89 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -174.1 172.91 3.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -73.72 147.95 87.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.608 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 18.4 Cg_endo -75.0 -179.63 5.18 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 12' ' ' PRO . . . 169.06 151.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.22 153.26 3.64 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -178.59 4.27 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.04 103.61 4.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.2 p -173.96 172.2 3.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.79 59.39 0.33 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 58.92 156.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 110.34 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.94 145.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -43.5 145.91 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 0.7 OUTLIER -161.01 149.66 13.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 18.2 Cg_endo -74.96 169.12 23.31 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.544 1.813 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 125.84 9.6 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.471 1.774 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HG3' HD11 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -120.19 -132.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.498 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.6 t-80 -96.37 138.07 21.55 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.568 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.481 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -74.99 -35.75 2.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.498 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -52.58 -33.9 42.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.761 HG13 ' HB2' ' A' ' 86' ' ' ALA . 20.4 t -83.79 -57.58 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 27' ' ' PRO . 5.1 mt -43.8 -36.68 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.78 ' O ' HD12 ' A' ' 35' ' ' ILE . 6.8 tttt -46.64 -33.03 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.876 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -87.86 -47.34 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.471 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 3.1 mt-10 -55.31 -31.55 61.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.2 -40.47 96.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.78 HD12 ' O ' ' A' ' 31' ' ' LYS . 4.1 mt -78.65 -47.79 23.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.626 HD21 ' HA2' ' A' ' 90' ' ' GLY . 14.0 mt -46.45 -42.87 15.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -56.83 -50.58 71.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -59.78 -44.63 93.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.585 HG11 HG22 ' A' ' 94' ' ' VAL . 98.9 t -48.03 -48.28 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -39.65 -50.6 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.12 -43.67 88.62 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.794 HD22 ' HB3' ' A' ' 64' ' ' TYR . 24.6 mt -67.43 -29.66 69.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.548 ' OE1' HG23 ' A' ' 97' ' ' ILE . 3.4 tp10 -77.84 -28.0 50.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.251 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -65.73 -33.25 75.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -71.22 -38.37 72.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.607 HG22 ' HB2' ' A' ' 101' ' ' LEU . 22.2 t -65.78 -42.05 91.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.35 -20.81 64.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.18 54.64 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.967 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' A' ' 50' ' ' GLU . 0.9 OUTLIER -102.55 160.24 14.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.578 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 22.3 mt-10 -136.64 116.52 13.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.245 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.55 -179.33 25.48 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.919 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -109.71 -167.39 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 0.778 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.436 ' HG2' ' CE2' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -83.64 7.63 16.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -115.58 -32.11 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.396 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.91 153.07 2.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.423 ' HA ' HD12 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -68.62 -49.45 59.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.83 -46.32 7.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.467 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 41.9 t80 -59.43 -42.08 91.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 56' ' ' LYS . 35.6 mt -63.5 -39.57 94.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.51 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 3.2 mtp -57.66 -51.02 71.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.428 HG22 ' CD1' ' A' ' 65' ' ' LEU . 20.9 mt -63.39 -38.52 82.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -56.7 -59.86 4.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 5.4 pt-20 -61.47 -44.77 96.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.794 ' HB3' HD22 ' A' ' 42' ' ' LEU . 1.9 m-85 -54.18 -44.49 71.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.655 ' HB3' HD21 ' A' ' 98' ' ' LEU . 13.9 mt -60.05 -64.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.855 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.5 m -48.41 -44.47 35.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.422 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -40.31 -42.76 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.727 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 9.9 mm-40 -69.31 -44.03 72.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.855 HD12 ' HA ' ' A' ' 66' ' ' THR . 11.6 mt -48.12 -49.26 32.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -56.25 -16.97 6.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.727 ' HB3' ' O ' ' A' ' 68' ' ' GLU . . . -82.3 -18.71 41.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.547 ' HG ' HG12 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -75.34 -61.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.457 ' HA ' ' NH2' ' A' ' 87' ' ' ARG . 3.8 t70 -50.89 -44.95 59.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.42 -27.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.415 ' N ' ' C ' ' A' ' 73' ' ' ASP . 59.0 t -73.29 132.01 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.5 102.22 46.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -24.0 13.24 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.545 1.813 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 74.39 -64.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.307 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.54 36.8 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.03 149.37 28.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.83 -48.94 7.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -50.82 -27.86 8.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.0 t -90.66 -54.56 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -45.44 -35.18 3.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.245 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -73.75 -59.6 2.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.876 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -39.13 -46.38 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.457 ' NH2' ' HA ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -57.56 -71.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.91 -52.09 15.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.6 -40.54 79.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.626 ' HA2' HD21 ' A' ' 36' ' ' LEU . . . -64.74 -65.23 3.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.568 ' HA ' HD23 ' A' ' 69' ' ' LEU . 27.7 m -45.22 -46.18 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -49.57 -57.66 6.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.706 ' CE ' HD11 ' A' ' 97' ' ' ILE . 5.0 tptm -37.89 -52.58 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.848 ' HA ' HD12 ' A' ' 97' ' ' ILE . 3.5 t -61.2 -53.6 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -40.8 -58.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.4 m -49.82 -45.64 50.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 94' ' ' VAL . 16.2 mt -59.78 -36.8 68.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.655 HD21 ' HB3' ' A' ' 65' ' ' LEU . 2.6 mm? -65.3 -55.77 16.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.48 -19.34 36.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 104' ' ' LYS . 4.8 ttpp -76.43 -72.87 0.31 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.607 ' HB2' HG22 ' A' ' 46' ' ' VAL . 8.1 tp -41.68 -46.48 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.76 -44.26 77.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 100' ' ' LYS . 4.0 mm-40 -93.28 9.53 35.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.561 ' HG3' ' N ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -102.05 -47.46 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.919 ' HB1' ' HA ' ' A' ' 52' ' ' LYS . . . -59.22 -52.44 65.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.2 t -90.61 1.87 56.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.959 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -66.98 -171.66 4.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 0.0 111.043 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -41.48 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.521 1.801 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 95.7 p -77.26 127.62 32.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.016 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.5 m -128.27 -58.61 1.19 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 110.033 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.458 1.099 . . . . 0.0 110.952 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 p -160.17 152.85 21.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 p -175.69 159.32 2.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.035 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.07 175.49 39.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 p -170.95 147.09 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 110.022 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.77 138.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.84 146.86 16.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.94 151.95 77.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 109.295 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.09 11.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.93 114.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.259 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 177.23 98.48 0.12 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 151.99 40.19 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.52 1.8 . . . . 0.0 111.039 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.01 169.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.52 160.16 52.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.85 12.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 111.042 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -133.52 179.15 6.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.59 149.23 38.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.71 71.51 0.08 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -119.57 164.76 15.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 0.801 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.55 171.59 8.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 61.7 132.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.8 m -149.15 92.36 4.33 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.404 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 171.84 17.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.554 1.818 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 127.05 10.36 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HE3' ' CD2' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -127.7 -140.64 0.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.492 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 59.1 t-80 -91.0 138.0 26.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.907 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.4 Cg_endo -74.98 -35.44 3.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.781 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.615 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -53.97 -34.45 52.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.806 HG13 ' HB2' ' A' ' 86' ' ' ALA . 21.7 t -75.97 -52.77 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.766 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.907 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.2 mt -47.85 -35.13 9.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.488 ' HG2' HG12 ' A' ' 75' ' ' VAL . 6.5 tttt -41.46 -40.34 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.65 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.9 OUTLIER -77.41 -46.03 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.443 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 3.2 mt-10 -56.0 -32.79 64.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.76 95.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.7 mt -73.21 -48.75 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 32' ' ' VAL . 4.5 mm? -51.52 -34.4 36.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -34.85 73.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -84.26 -44.24 14.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.753 HG22 ' HG3' ' A' ' 68' ' ' GLU . 75.0 t -43.63 -47.13 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -45.18 -47.66 12.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.24 -31.42 62.33 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 64' ' ' TYR . 85.4 mt -79.13 -31.01 44.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.52 ' HG2' HG23 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -65.12 -36.76 85.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -60.75 -40.41 92.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -60.85 -50.09 74.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.864 HG22 HD13 ' A' ' 101' ' ' LEU . 24.2 t -59.21 -61.31 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.18 -25.46 5.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.7 p -118.06 35.98 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.026 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.459 ' CD1' ' HD3' ' A' ' 57' ' ' LYS . 76.7 t80 -100.28 165.68 11.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.454 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 1.9 pt-20 -163.86 120.11 1.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 154.85 -131.91 3.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.875 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -145.82 -169.58 3.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.777 . . . . 0.0 109.267 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.531 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 11.9 mttp -83.39 -13.39 55.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.9 -31.23 16.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.404 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.505 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 12.3 m-20 -55.89 148.1 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 59' ' ' LEU . 2.8 tmtm? -64.38 -46.06 84.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.459 ' HD3' ' CD1' ' A' ' 49' ' ' PHE . 11.7 ttmt -42.65 -31.83 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.531 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 86.7 t80 -80.52 -40.97 25.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 55' ' ' ASP . 8.5 mp -63.65 -52.13 62.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.642 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 3.5 ptm -57.29 -30.48 64.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 64' ' ' TYR . 41.2 mt -77.94 -62.39 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 61' ' ' ILE . 0.6 OUTLIER -36.68 -50.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.573 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -56.23 -46.57 79.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.642 ' CD2' ' O ' ' A' ' 60' ' ' MET . 16.7 m-30 -61.63 -46.58 89.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.785 ' HB3' HD21 ' A' ' 98' ' ' LEU . 3.9 mp -56.41 -72.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.8 m -44.35 -44.37 8.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.425 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 66' ' ' THR . 10.7 mttt -39.19 -47.32 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.753 ' HG3' HG22 ' A' ' 39' ' ' VAL . 4.9 mm-40 -59.59 -47.27 86.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -46.13 -57.93 4.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.9 mt -48.93 -41.87 35.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.85 -30.96 69.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.619 HD21 ' CD2' ' A' ' 36' ' ' LEU . 14.1 mt -72.65 -26.32 61.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.33 -29.92 15.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.6 t -53.24 -45.37 68.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.017 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.591 ' CG2' ' HD2' ' A' ' 87' ' ' ARG . 17.7 m -55.79 147.93 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.46 116.42 43.86 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.439 ' HG3' ' NH1' ' A' ' 87' ' ' ARG . 18.3 Cg_endo -75.0 -23.19 14.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 68.08 8.67 6.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 101.52 -6.27 55.25 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.71 102.74 1.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.47 -48.14 19.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.62 -51.59 8.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.615 HG13 ' O ' ' A' ' 28' ' ' GLY . 45.4 t -70.46 -59.45 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.449 ' HA ' ' NH1' ' A' ' 87' ' ' ARG . 5.6 mtt180 -38.9 -47.97 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -58.35 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.806 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -49.15 -52.72 24.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.813 ' O ' HG23 ' A' ' 91' ' ' VAL . 3.2 ttp-105 -49.03 -38.02 22.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -68.95 -67.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.36 -55.22 3.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.585 ' HA3' HD21 ' A' ' 36' ' ' LEU . . . -49.62 -46.17 38.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 87' ' ' ARG . 55.0 t -64.54 -47.13 90.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 0.766 . . . . 0.0 109.328 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.2 -30.82 68.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.478 ' HG2' HD12 ' A' ' 36' ' ' LEU . 4.5 tptm -67.44 -55.73 12.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.714 ' HA ' HD12 ' A' ' 97' ' ' ILE . 44.1 t -55.2 -50.96 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -45.78 -47.1 15.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.0 m -56.91 -31.2 64.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.714 HD12 ' HA ' ' A' ' 94' ' ' VAL . 38.5 mt -68.48 -38.15 78.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.785 HD21 ' HB3' ' A' ' 65' ' ' LEU . 4.3 mm? -64.4 -53.37 49.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -18.33 22.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.446 ' O ' ' CG ' ' A' ' 104' ' ' LYS . 24.0 ttpp -83.46 -59.19 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.864 HD13 HG22 ' A' ' 46' ' ' VAL . 40.8 tp -45.22 -53.83 7.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 101' ' ' LEU . 18.3 mt-10 -38.69 -69.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 107' ' ' GLY . 33.8 mt-30 -51.65 -43.35 62.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 2.3 mmpt? -50.96 -41.8 59.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.875 ' HB1' ' HA ' ' A' ' 52' ' ' LYS . . . -73.27 -45.75 53.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.7 m -69.66 -6.04 28.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 103' ' ' GLN . . . -63.02 -143.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 140.37 25.57 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.6 m -77.55 102.67 7.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.003 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.1 t -63.67 -56.34 16.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.531 1.145 . . . . 0.0 110.953 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.51 158.95 40.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 0.727 . . . . 0.0 110.006 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 m 68.16 130.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.5 -170.38 13.39 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.9 p -177.31 158.08 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -99.21 137.77 37.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.634 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . 81.26 113.71 0.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.882 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . . . 167.96 -55.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.882 ' HD3' ' HB3' ' A' ' 8' ' ' ALA . 18.2 Cg_endo -75.02 74.91 3.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.77 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -174.18 62.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -162.73 140.79 6.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -178.05 3.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 111.035 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.68 -179.88 4.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.28 152.71 71.51 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -172.61 1.3 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.46 178.19 5.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.42 166.09 10.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.007 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -141.02 57.44 0.58 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.53 1.144 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -167.21 159.2 12.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.13 117.76 34.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -177.51 126.99 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 m -156.76 93.39 2.37 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 172.5 16.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.035 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 126.78 10.14 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.77 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.484 ' HE2' ' CD2' ' A' ' 30' ' ' LEU . 1.1 pttm -135.01 -140.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 59.4 t-80 -89.97 138.1 27.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.602 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.853 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.5 Cg_endo -74.9 -36.2 2.78 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.5 1.79 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.53 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -52.94 -33.29 43.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.135 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.66 HG13 ' CB ' ' A' ' 86' ' ' ALA . 21.6 t -77.79 -56.67 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.8 mt -42.49 -36.25 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.62 ' O ' HD12 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -43.81 -31.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.617 HG13 ' O ' ' A' ' 29' ' ' VAL . 1.0 OUTLIER -85.48 -46.54 17.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.45 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 9.6 mt-10 -54.58 -38.61 66.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.2 70.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.62 HD12 ' O ' ' A' ' 31' ' ' LYS . 7.0 mt -83.57 -52.52 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 36' ' ' LEU . 9.3 mt -45.92 -37.2 6.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.82 -40.79 73.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' ILE . 4.0 mttt -75.69 -41.95 52.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 42' ' ' LEU . 50.5 t -43.8 -51.46 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -46.74 -45.15 19.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.9 -24.77 71.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.835 HD22 ' HB3' ' A' ' 64' ' ' TYR . 53.5 mt -91.16 -19.73 22.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -86.94 -33.52 19.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.422 ' CG ' ' N ' ' A' ' 45' ' ' ALA . 12.1 pt20 -59.29 -41.75 89.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -60.35 -37.89 82.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.871 HG22 ' HG ' ' A' ' 101' ' ' LEU . 11.6 t -61.2 -71.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.24 -26.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -119.52 41.29 3.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.03 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.586 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 35.4 t80 -99.24 171.87 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.586 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 1.9 mt-10 -159.5 138.88 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.45 -143.5 14.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.821 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -144.44 -176.24 4.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 109.273 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.618 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 4.7 mtmp? -72.19 -5.6 36.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.487 HG22 ' N ' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -91.93 -52.9 4.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.487 ' N ' HG22 ' A' ' 54' ' ' THR . 46.7 m-20 -39.35 129.25 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -55.43 -21.76 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -58.29 -56.39 22.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.707 ' CE1' HD13 ' A' ' 101' ' ' LEU . 75.9 t80 -51.29 -46.96 62.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 59' ' ' LEU . 6.7 mp -56.12 -50.19 71.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.68 -58.9 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.746 HG22 HD13 ' A' ' 65' ' ' LEU . 76.4 mt -52.42 -58.96 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.367 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.444 ' CD ' ' C ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -37.79 -46.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.306 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.555 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -60.85 -53.19 60.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.835 ' HB3' HD22 ' A' ' 42' ' ' LEU . 33.0 m-85 -52.16 -42.7 63.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.746 HD13 HG22 ' A' ' 61' ' ' ILE . 9.4 mp -60.75 -73.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.537 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.1 m -39.86 -41.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.43 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -40.51 -45.97 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 12.2 mm-40 -66.67 -41.44 88.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.792 ' HG ' HG11 ' A' ' 94' ' ' VAL . 64.0 mt -52.53 -52.94 52.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.533 HD23 HG22 ' A' ' 66' ' ' THR . 4.4 mm? -57.68 -39.8 77.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.14 -26.17 64.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.55 ' HG ' HG21 ' A' ' 35' ' ' ILE . 8.4 mt -76.26 -23.43 54.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -92.7 -19.76 21.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.1 t -65.7 -44.13 87.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.547 ' CG2' ' HD2' ' A' ' 87' ' ' ARG . 6.4 m -59.01 144.68 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -112.46 117.41 47.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.606 ' HA ' HG11 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.01 -36.69 2.4 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.468 1.773 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 70.9 66.08 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 42.09 42.96 4.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.453 1.096 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -124.67 100.55 6.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 0.732 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.98 -39.46 41.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.4 -48.21 62.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.606 HG11 ' HA ' ' A' ' 77' ' ' PRO . 59.8 t -80.44 -51.79 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -48.54 -58.14 5.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.334 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -43.65 -56.73 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.273 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.66 ' CB ' HG13 ' A' ' 29' ' ' VAL . . . -50.45 -50.92 50.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.547 ' HD2' ' CG2' ' A' ' 75' ' ' VAL . 6.7 ttp180 -49.32 -46.46 46.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -69.62 -49.66 51.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -48.89 -42.76 37.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.95 -50.47 18.23 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.483 HG23 ' HB3' ' A' ' 72' ' ' LEU . 4.5 t -54.32 -35.59 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -67.98 -33.83 75.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -50.14 73.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.804 ' HA ' HD12 ' A' ' 97' ' ' ILE . 13.0 t -57.27 -49.0 81.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -46.65 -57.72 4.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.8 m -48.84 -48.52 41.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.36 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' A' ' 94' ' ' VAL . 11.6 mt -57.19 -42.65 80.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.666 HD22 HD23 ' A' ' 65' ' ' LEU . 2.3 mm? -59.99 -27.4 66.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -76.72 -32.47 57.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.452 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 7.1 mtpt -71.06 -56.47 6.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.871 ' HG ' HG22 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -38.17 -53.63 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 105' ' ' ALA . 0.6 OUTLIER -41.74 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -48.48 -35.23 12.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 0.5 OUTLIER -62.8 -31.1 72.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.821 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -105.66 31.06 5.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.5 t -142.57 13.56 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.005 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -108.51 -148.46 13.37 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 78.41 2.9 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 76.0 p -59.47 168.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.73 141.28 50.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 1.013 ' OG ' HG22 ' A' ' 54' ' ' THR . 22.8 m -90.5 -68.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.25 174.6 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.957 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.24 140.63 8.7 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.43 153.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.781 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 t -173.32 149.68 1.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.061 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.73 105.62 2.12 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.71 148.27 0.8 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -177.17 3.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.799 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.56 156.09 25.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -156.15 116.27 2.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -170.4 0.78 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.496 1.787 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.97 -161.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.13 65.1 5.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.4 ' O ' ' N ' ' A' ' 17' ' ' SER . 18.1 Cg_endo -75.01 -162.97 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' SER . 0.2 OUTLIER 70.16 -68.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -38.7 125.19 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 132.66 66.7 0.08 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -123.04 103.87 8.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.24 -178.04 3.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -42.0 137.7 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.2 m -142.01 102.88 5.72 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.435 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 173.83 13.81 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.02 19.8 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.56 ' HG3' HD21 ' A' ' 30' ' ' LEU . 12.9 pttm -129.14 -170.76 2.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.492 ' CE1' ' H ' ' A' ' 28' ' ' GLY . 63.3 t-80 -68.23 140.23 92.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.621 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.04 -34.85 3.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.777 . . . . 0.0 110.988 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.614 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -51.84 -27.67 21.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.542 1.152 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.535 HG13 ' HB2' ' A' ' 86' ' ' ALA . 41.0 t -86.13 -45.36 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.687 HD23 ' N ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -64.79 -28.6 69.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -49.84 -25.19 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 29' ' ' VAL . 0.8 OUTLIER -90.68 -45.39 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.435 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 7.2 mt-10 -53.17 -37.95 62.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.02 77.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.735 HG21 ' HB3' ' A' ' 71' ' ' ALA . 15.0 mt -79.95 -50.84 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.585 HD11 ' HA2' ' A' ' 90' ' ' GLY . 12.9 mt -46.52 -35.78 6.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.48 -45.27 13.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -64.5 -48.35 75.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.575 HG21 HG22 ' A' ' 94' ' ' VAL . 72.8 t -45.93 -37.56 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -55.53 -32.07 62.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.08 -25.96 72.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.755 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -90.65 -27.91 18.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 109.278 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -50.24 64.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -69.91 -31.74 69.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 110.326 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.48 -34.3 76.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.9 HG11 ' CG ' ' A' ' 100' ' ' LYS . 3.4 t -70.45 -67.11 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -43.72 -27.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 46' ' ' VAL . 44.5 t -120.83 45.18 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.023 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.6 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 23.0 t80 -102.33 171.69 7.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.6 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 2.6 mt-10 -156.5 138.78 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.35 -154.65 18.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.841 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 2.4 mmmm -130.69 -156.21 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.751 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.626 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 8.5 mttp -88.17 12.47 13.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 1.013 HG22 ' OG ' ' A' ' 2' ' ' SER . 24.5 p -114.11 -48.13 2.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.386 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -41.54 131.08 3.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.298 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -38.91 19.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 10.6 ttpt -45.03 -59.0 2.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.626 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 59.4 t80 -47.97 -46.97 33.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 59' ' ' LEU . 6.2 mp -59.63 -52.11 66.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.0 mtp -45.55 -65.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.486 HG22 ' CD1' ' A' ' 65' ' ' LEU . 38.2 mt -48.67 -53.9 5.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' GLU . 0.6 OUTLIER -41.5 -67.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -37.93 -63.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.71 ' CB ' HD11 ' A' ' 42' ' ' LEU . 36.5 m-85 -47.43 -62.93 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.486 ' CD1' HG22 ' A' ' 61' ' ' ILE . 53.9 mt -37.25 -58.13 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.809 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.6 m -61.08 -48.83 79.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -41.81 -49.8 4.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -61.6 -39.99 93.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.899 HD21 ' HB ' ' A' ' 94' ' ' VAL . 43.6 mt -56.78 -51.11 70.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.52 -34.93 62.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.735 ' HB3' HG21 ' A' ' 35' ' ' ILE . . . -71.93 -24.33 61.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 69' ' ' LEU . 14.3 mt -80.84 -28.06 36.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.23 -37.66 57.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -55.67 -19.1 9.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.148 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.0 t -80.89 123.0 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -112.75 106.62 55.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.403 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 18.5 Cg_endo -74.93 -35.64 3.09 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.516 1.798 . . . . 0.0 111.051 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 12.7 mt-10 79.12 -59.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.224 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 173.3 38.54 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.549 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 1.6 mmp_? -86.8 -18.75 30.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . 74.26 -64.29 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -49.49 -44.52 46.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 28' ' ' GLY . 26.4 t -74.56 -34.71 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -62.77 -39.96 95.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -61.64 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.535 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -43.59 -44.8 6.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -60.56 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -54.32 -27.83 38.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -83.42 -33.71 25.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.585 ' HA2' HD11 ' A' ' 36' ' ' LEU . . . -72.28 -50.47 16.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 19.0 m -61.94 -43.94 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 109.249 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -60.68 -39.89 90.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -51.97 -57.38 9.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.899 ' HB ' HD21 ' A' ' 69' ' ' LEU . 12.1 t -58.91 -56.11 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 94' ' ' VAL . 38.2 mt-30 -37.34 -60.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.4 m -50.98 -49.08 60.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 52.1 mt -59.54 -44.78 93.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.511 HD12 HD11 ' A' ' 69' ' ' LEU . 4.5 mt -56.41 -30.4 62.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.64 -26.84 25.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.311 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.9 ' CG ' HG11 ' A' ' 46' ' ' VAL . 3.8 ptmt -73.8 -36.02 64.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.816 HD13 HG22 ' A' ' 46' ' ' VAL . 47.6 tp -60.02 -54.9 40.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -38.65 -53.67 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.47 -42.87 83.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.442 ' HG3' HG13 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -60.81 -33.14 72.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.841 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -102.0 36.35 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.59 3.19 5.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 169.6 -120.82 0.89 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 158.2 42.41 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.2 p 176.15 119.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 0.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.62 165.93 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 179.955 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -173.49 141.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.988 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.1 142.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.999 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.22 156.24 7.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 110.957 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.47 125.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.36 171.28 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.09 133.09 1.44 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.82 94.01 0.24 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.535 0.785 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.405 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 18.3 Cg_endo -75.02 178.81 6.78 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.803 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 179.78 161.06 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 179.84 72.63 0.16 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.52 35.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . -170.47 138.08 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 13' ' ' ALA . . . 177.65 120.64 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 155.41 42.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.525 1.803 . . . . 0.0 110.982 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.07 106.43 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.37 151.37 1.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.992 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.29 68.17 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -141.5 143.3 33.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 19' ' ' GLU . . . -179.58 171.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -89.14 140.21 29.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 0.4 OUTLIER -174.89 143.48 0.79 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 18.2 Cg_endo -75.04 169.45 22.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.23 11.3 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.538 1.81 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.21 -136.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.481 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.7 t-80 -101.48 138.27 19.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.647 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.759 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.06 -36.26 2.62 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.481 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -53.46 -38.8 58.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.973 HG13 ' HB2' ' A' ' 86' ' ' ALA . 55.5 t -72.07 -58.21 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.6 mt -42.12 -33.39 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -37.42 -43.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.769 HG12 HH22 ' A' ' 87' ' ' ARG . 0.9 OUTLIER -78.24 -45.31 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' LEU . 2.7 mt-10 -54.81 -35.3 63.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -36.11 74.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.501 HD13 ' O ' ' A' ' 71' ' ' ALA . 9.6 mt -82.97 -50.09 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.678 HD22 ' HG2' ' A' ' 93' ' ' LYS . 11.5 mt -41.04 -50.49 3.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -41.0 -40.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' ILE . 20.4 mttm -74.52 -43.3 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.621 HG11 HG22 ' A' ' 94' ' ' VAL . 73.7 t -48.9 -49.64 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -41.25 -44.88 2.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.259 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.73 -40.56 98.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 64' ' ' TYR . 82.4 mt -70.76 -23.66 62.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.479 ' HG2' ' CG2' ' A' ' 97' ' ' ILE . 1.0 OUTLIER -73.49 -54.35 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.357 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -45.23 -41.65 8.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.71 85.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.842 HG22 HD13 ' A' ' 101' ' ' LEU . 14.2 t -65.73 -65.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -48.16 -24.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -118.92 36.56 4.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.946 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.57 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 61.0 t80 -98.61 172.34 7.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.57 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 4.1 mt-10 -167.01 128.15 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 105' ' ' ALA . . . 139.56 -148.39 19.98 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.821 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 2.2 mmtm -121.53 -157.54 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 3.3 mttt -103.69 27.72 7.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ASP . 56.5 p -122.5 -44.02 2.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.388 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 52' ' ' LYS . 1.3 m-20 -40.49 134.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -32.52 31.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -58.5 -50.68 72.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 91.0 t80 -51.88 -47.65 64.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 59' ' ' LEU . 7.0 mp -57.42 -53.34 59.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -42.52 -56.59 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.632 HG22 HD22 ' A' ' 101' ' ' LEU . 46.9 mt -58.99 -41.35 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -53.46 -60.38 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 2.3 pt-20 -61.19 -43.76 98.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.614 ' HB3' HD22 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -55.68 -40.57 72.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.3 mt -64.26 -48.27 76.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' LEU . 3.8 m -59.98 -45.91 91.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 66' ' ' THR . 25.2 mttp -40.07 -40.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.475 ' HG3' HG22 ' A' ' 39' ' ' VAL . 19.9 mm-40 -72.23 -44.81 62.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' THR . 52.6 mt -44.9 -54.76 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.2 mt -54.37 -41.36 69.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.501 ' O ' HD13 ' A' ' 35' ' ' ILE . . . -69.54 -19.66 63.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.452 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 22.9 mt -99.18 5.16 46.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.425 ' C ' ' N ' ' A' ' 75' ' ' VAL . 14.1 t0 -122.52 -38.87 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -13.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.042 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.717 ' HB ' ' CZ ' ' A' ' 87' ' ' ARG . 54.6 t -82.76 128.34 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -120.79 108.57 36.86 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.529 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 18.0 Cg_endo -75.02 -58.82 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.472 1.775 . . . . 0.0 110.945 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 77' ' ' PRO . 0.5 OUTLIER 33.98 89.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 134.45 -61.12 0.64 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -93.59 138.69 31.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.61 -52.46 5.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.05 -38.44 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.529 ' CG1' ' HB3' ' A' ' 77' ' ' PRO . 40.1 t -66.99 -57.79 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.496 ' HG2' ' CG ' ' A' ' 77' ' ' PRO . 4.3 mtt180 -45.25 -49.64 12.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.18 -63.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.973 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -42.01 -51.82 4.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.769 HH22 HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -40.3 -69.82 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -20.96 4.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -79.31 -72.73 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.468 ' HA2' HD11 ' A' ' 36' ' ' LEU . . . -37.42 -62.86 0.88 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.562 HG23 ' N ' ' A' ' 92' ' ' ARG . 17.8 m -47.48 -54.27 3.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.562 ' N ' HG23 ' A' ' 91' ' ' VAL . 0.5 OUTLIER -47.02 -55.65 7.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.678 ' HG2' HD22 ' A' ' 36' ' ' LEU . 23.5 tptt -43.94 -58.82 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.621 HG22 HG11 ' A' ' 39' ' ' VAL . 95.0 t -55.6 -56.66 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 94' ' ' VAL . 68.9 mt-30 -37.47 -60.82 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.7 m -48.39 -47.8 37.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.373 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.479 ' CG2' ' HG2' ' A' ' 43' ' ' GLU . 46.6 mt -61.79 -35.36 67.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.424 ' CD1' HD11 ' A' ' 69' ' ' LEU . 6.0 mt -66.91 -31.74 72.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -86.4 -25.51 25.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.836 ' CG ' HG11 ' A' ' 46' ' ' VAL . 2.7 ptmt -74.82 -37.68 62.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.842 HD13 HG22 ' A' ' 46' ' ' VAL . 52.2 tp -59.01 -57.56 12.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.97 -52.8 8.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -57.76 -50.22 73.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 1.1 mmpt? -41.36 -63.99 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.821 ' HB1' ' HA ' ' A' ' 52' ' ' LYS . . . -38.48 -62.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 105' ' ' ALA . 0.3 OUTLIER 84.43 -146.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.002 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -156.06 -126.26 0.95 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 65.23 6.1 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 80.1 p -122.87 152.35 40.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 95.2 p -174.18 126.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.89 124.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 110.034 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -167.33 163.96 15.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.17 135.4 5.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.41 172.93 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 0.746 . . . . 0.0 109.975 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t 62.3 152.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.045 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.86 142.35 10.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.437 1.085 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.595 ' HB1' ' HD2' ' A' ' 9' ' ' PRO . . . -177.5 168.24 1.14 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.595 ' HD2' ' HB1' ' A' ' 8' ' ' ALA . 18.1 Cg_endo -74.96 150.97 39.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.39 178.01 4.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.94 127.59 4.66 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.74 38.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.596 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . -176.23 158.81 1.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.858 ' HB3' ' HD3' ' A' ' 15' ' ' PRO . . . 169.53 -55.31 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.858 ' HD3' ' HB3' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -74.94 133.39 16.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.491 1.785 . . . . 0.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -168.88 117.87 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t 57.7 172.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.74 -81.18 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 57.29 169.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.06 10.36 5.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -132.37 157.77 43.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.34 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.5 m -156.76 93.3 2.38 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.24 18.69 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.434 1.755 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 130.51 13.38 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HE2' ' CD2' ' A' ' 30' ' ' LEU . 7.7 pttt -128.19 -140.55 0.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.415 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 61.8 t-80 -87.44 138.62 31.91 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.627 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.758 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.4 Cg_endo -74.99 -36.06 2.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.77 . . . . 0.0 110.987 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.415 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -55.62 -32.75 58.62 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.009 HG13 ' HB2' ' A' ' 86' ' ' ALA . 62.6 t -77.45 -56.83 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.773 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.9 mt -43.35 -35.92 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -48.78 -37.42 19.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.973 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.9 OUTLIER -76.73 -48.97 24.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.481 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 2.4 mm-40 -52.46 -47.35 66.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.51 -30.15 68.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.737 HG23 ' OE1' ' A' ' 68' ' ' GLU . 89.7 mt -80.77 -53.4 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.896 HD21 HD21 ' A' ' 72' ' ' LEU . 3.9 mm? -63.24 -16.45 60.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.4 tt0 -60.56 -35.13 75.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 39' ' ' VAL . 0.5 OUTLIER -73.84 -64.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.92 ' HA ' HD12 ' A' ' 42' ' ' LEU . 3.0 p -37.06 -49.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -41.55 -57.12 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.7 -34.44 56.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.92 HD12 ' HA ' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -81.56 -19.15 42.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.302 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.798 ' HB2' HD13 ' A' ' 97' ' ' ILE . 25.7 tt0 -79.94 -30.8 39.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -70.22 -31.72 69.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -71.02 -28.19 64.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.812 HG11 ' CG ' ' A' ' 100' ' ' LYS . 3.4 t -63.14 -53.61 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -57.96 -19.51 30.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.35 31.13 5.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.557 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 1.4 t80 -104.17 167.33 9.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.557 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 8.5 mt-10 -157.14 137.85 13.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 146.36 -146.33 16.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.848 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -140.72 -169.53 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.754 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.631 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 3.7 mttp -82.68 6.87 16.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.8 -35.97 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.54 126.31 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.4 tptt -54.48 -25.4 25.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -64.48 -47.63 78.26 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.944 ' CE1' HD13 ' A' ' 101' ' ' LEU . 62.1 t80 -55.52 -47.81 75.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 59' ' ' LEU . 7.5 mp -51.83 -50.84 60.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.546 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 9.9 mtp -47.09 -51.4 17.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.7 mt -67.13 -49.37 73.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -44.2 -65.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.268 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 5.3 pt-20 -55.85 -45.51 78.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.77 ' HB3' HD13 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -51.82 -36.71 48.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.608 HD23 HG23 ' A' ' 39' ' ' VAL . 15.8 mt -70.45 -73.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 69' ' ' LEU . 1.5 m -38.28 -35.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.44 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER -39.06 -46.53 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.737 ' OE1' HG23 ' A' ' 35' ' ' ILE . 15.3 mm-40 -66.88 -41.52 87.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.579 HD12 ' CG1' ' A' ' 94' ' ' VAL . 0.0 OUTLIER -46.15 -54.09 9.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.425 ' N ' HD22 ' A' ' 70' ' ' LEU . 1.8 mm? -58.68 -38.47 78.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.56 ' O ' HD13 ' A' ' 35' ' ' ILE . . . -70.02 -16.5 63.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.896 HD21 HD21 ' A' ' 36' ' ' LEU . 12.1 mt -88.24 -22.83 23.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -86.78 -40.67 14.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.57 -28.89 49.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.055 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.4 t -75.66 114.16 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -104.15 112.69 65.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 79' ' ' GLY . 18.4 Cg_endo -74.95 -22.99 14.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.534 1.807 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 68.58 -60.47 0.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 77' ' ' PRO . . . -171.27 35.43 0.16 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.907 ' NH1' HG21 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -111.62 122.07 46.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 82' ' ' ASP . . . -67.79 -56.13 10.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 81' ' ' ALA . 13.9 m-20 -38.16 -47.46 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.907 HG21 ' NH1' ' A' ' 80' ' ' ARG . 8.4 t -71.52 -60.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -41.78 -34.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.451 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -64.43 -71.75 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 1.009 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -41.91 -55.71 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -50.7 26.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -58.51 -47.51 83.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -61.68 -51.1 69.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.32 -50.28 56.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.7 t -55.66 -39.64 56.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -73.16 -29.79 63.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.616 ' HG2' HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -64.79 -65.95 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.579 ' CG1' HD12 ' A' ' 69' ' ' LEU . 11.9 t -47.9 -61.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.484 ' HG2' HD11 ' A' ' 69' ' ' LEU . 7.4 mm-40 -38.41 -59.32 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.8 m -44.81 -55.0 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.798 HD13 ' HB2' ' A' ' 43' ' ' GLU . 45.2 mt -50.92 -52.61 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 65' ' ' LEU . 2.4 mm? -47.87 -39.78 19.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.62 -28.66 61.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.812 ' CG ' HG11 ' A' ' 46' ' ' VAL . 1.2 ptmt -78.88 -38.98 36.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.944 HD13 ' CE1' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -59.05 -61.93 2.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 105' ' ' ALA . 50.7 mt-10 -37.52 -70.16 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 102' ' ' GLU . 52.6 mm-40 -38.0 -52.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 3.7 mmpt? -48.89 -50.04 36.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.848 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -64.79 -38.06 89.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.8 t -75.07 -0.57 19.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 149.87 127.11 1.48 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.573 1.171 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 175.49 11.16 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.5 m -147.15 119.39 8.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.25 119.3 2.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -152.63 114.18 4.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.791 . . . . 0.0 109.985 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 t 176.69 159.65 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . -162.47 32.05 0.31 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 0.3 OUTLIER 80.73 165.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 110.019 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.81 108.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.689 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . 73.75 170.69 21.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.804 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . . . 163.25 -52.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.542 0.789 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.804 ' HD3' ' HB3' ' A' ' 8' ' ' ALA . 18.4 Cg_endo -75.0 57.97 4.74 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 175.18 67.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -141.68 151.41 60.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -163.44 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.781 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . -155.59 123.24 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 13' ' ' ALA . . . 175.94 91.73 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.65 5.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.477 1.777 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -88.02 173.95 8.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 t -179.32 150.31 0.43 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.66 -84.38 0.05 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 62.33 106.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -174.23 -177.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -41.13 152.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.7 m -127.87 91.82 44.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.1 15.1 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.427 1.751 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.19 7.69 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.0 111.044 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.605 ' HE2' HD21 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -139.46 -128.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.288 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.48 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 62.9 t-80 -102.71 138.31 19.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.629 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.7 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.4 Cg_endo -74.97 -35.87 2.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.48 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -54.17 -33.99 52.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.942 HG13 ' HB2' ' A' ' 86' ' ' ALA . 89.2 t -77.27 -55.51 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.7 HD12 ' HA ' ' A' ' 27' ' ' PRO . 5.1 mt -46.5 -35.15 5.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -45.21 -33.0 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -83.09 -47.86 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.469 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 4.7 mt-10 -48.63 -39.8 25.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.82 -31.94 71.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.448 ' O ' HG13 ' A' ' 39' ' ' VAL . 57.5 mt -79.77 -59.36 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.773 HD13 HG21 ' A' ' 39' ' ' VAL . 2.7 mm? -47.97 -28.09 2.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -12.66 44.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.3 mtpp -112.38 -8.35 13.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.773 HG21 HD13 ' A' ' 36' ' ' LEU . 1.3 m -89.81 -44.28 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.42 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 7.5 mm-40 -46.83 -38.92 11.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.69 -27.91 73.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.152 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 39' ' ' VAL . 70.2 mt -85.6 -21.57 28.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -77.95 -40.0 40.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.46 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 12.8 pt20 -58.25 -41.97 85.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -62.41 -38.8 91.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.793 HG22 ' HG ' ' A' ' 101' ' ' LEU . 11.9 t -59.74 -71.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' VAL . 1.1 t0 -40.57 -29.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.452 ' N ' ' C ' ' A' ' 46' ' ' VAL . 82.2 p -123.66 47.74 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.003 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.678 ' CE1' ' HB2' ' A' ' 105' ' ' ALA . 3.1 t80 -106.48 153.5 22.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.47 131.27 27.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.94 -135.83 5.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.96 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -152.64 -171.88 4.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 0.779 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.612 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 4.1 mtmp? -86.91 -7.2 58.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.6 p -103.95 -18.01 14.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 110.386 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -66.02 154.21 40.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.411 ' HA ' HD12 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -73.07 -47.97 39.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -44.3 -41.64 6.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.733 ' CE1' HD13 ' A' ' 101' ' ' LEU . 74.9 t80 -63.47 -44.25 94.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 56' ' ' LYS . 27.8 mt -59.33 -34.0 71.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.455 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.2 mtp -61.29 -53.0 62.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.577 ' HB ' HD11 ' A' ' 101' ' ' LEU . 32.1 mt -65.75 -39.97 86.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -57.87 -53.77 54.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 3.9 pt-20 -64.71 -43.79 92.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.461 ' N ' ' CG ' ' A' ' 63' ' ' GLU . 1.8 m-85 -59.12 -30.22 67.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.82 HD21 HG21 ' A' ' 97' ' ' ILE . 20.5 mt -73.08 -65.26 0.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.7 m -44.13 -46.2 8.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.415 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -41.3 -42.01 2.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 37.9 mm-40 -70.54 -43.26 69.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.641 ' HA ' HD12 ' A' ' 72' ' ' LEU . 24.6 mt -48.38 -57.71 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -53.14 -34.5 57.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 68' ' ' GLU . . . -69.44 -24.77 63.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.647 HD21 ' CD2' ' A' ' 36' ' ' LEU . 22.6 mt -80.2 -51.63 8.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.424 ' HA ' ' NH2' ' A' ' 87' ' ' ARG . 0.2 OUTLIER -63.62 -12.94 37.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.6 t -75.0 -2.03 25.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.3 t -96.93 130.71 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -109.04 100.98 42.89 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.463 ' HB3' HG12 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -74.97 -21.47 15.9 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.481 1.78 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.61 -62.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -174.89 33.76 0.1 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.445 1.09 . . . . 0.0 111.028 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -102.62 118.82 37.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.773 . . . . 0.0 110.269 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.61 -58.83 6.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.1 -56.03 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.463 HG12 ' HB3' ' A' ' 77' ' ' PRO . 21.7 t -62.14 -53.73 43.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.9 mtt-85 -42.74 -51.17 5.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.349 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -58.53 -56.56 20.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.942 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -42.99 -56.19 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.424 ' NH2' ' HA ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -52.2 -52.61 51.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -58.51 -46.25 87.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.56 -46.85 86.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.719 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -53.81 -64.11 4.53 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.442 ' N ' HD13 ' A' ' 72' ' ' LEU . 16.8 m -53.67 -45.8 60.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.408 ' N ' HG23 ' A' ' 91' ' ' VAL . 1.2 ttt85 -57.74 -56.58 20.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.608 ' HG2' HD12 ' A' ' 36' ' ' LEU . 5.1 tptt -51.18 -32.06 22.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 90' ' ' GLY . 81.0 t -78.9 -54.95 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -40.36 -54.87 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.492 ' O ' ' CG ' ' A' ' 100' ' ' LYS . 2.0 m -44.24 -38.76 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.82 HG21 HD21 ' A' ' 65' ' ' LEU . 34.6 mt -61.05 -51.57 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.638 HD21 ' HB3' ' A' ' 65' ' ' LEU . 4.0 mm? -53.82 -47.66 70.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -34.0 75.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.237 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.67 ' HB2' HG11 ' A' ' 46' ' ' VAL . 7.8 mmmt -67.71 -58.56 4.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.793 ' HG ' HG22 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -40.57 -51.19 2.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 105' ' ' ALA . 2.5 mt-10 -41.39 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -48.23 -36.59 14.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.459 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -63.6 -31.67 72.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.96 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -107.53 39.74 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.5 m -140.59 11.17 2.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.957 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 51.58 -177.56 0.07 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 139.96 24.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.8 t -153.89 -67.16 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.75 -61.47 1.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.027 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -162.43 139.34 7.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 110.032 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.35 130.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.49 -160.63 19.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 t 57.78 99.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 t -151.73 81.67 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.964 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.21 106.56 0.29 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -168.55 92.05 0.61 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -58.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.53 158.0 2.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.157 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -138.84 82.52 20.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 1.42 7.75 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.537 1.809 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 65.68 176.33 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 40.71 89.61 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 61.68 5.7 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 111.052 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mttp 60.88 157.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 t 175.62 -72.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.41 ' C ' ' CG ' ' A' ' 19' ' ' GLU . . . -65.51 83.9 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' CG ' ' C ' ' A' ' 18' ' ' GLY . 2.4 pt-20 39.14 54.83 2.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.434 ' O ' ' CB ' ' A' ' 21' ' ' GLU . . . -103.44 9.53 37.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 3.3 tt0 82.16 150.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.403 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 0.4 OUTLIER 61.09 154.18 0.11 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 18.3 Cg_endo -74.97 169.08 23.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -171.52 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HA ' ' HE3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -82.7 158.5 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.497 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 66.2 t-80 -82.66 139.92 44.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.63 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.45 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.4 Cg_endo -74.95 -36.55 2.53 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.497 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -60.46 -29.54 69.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.604 HG13 ' CB ' ' A' ' 86' ' ' ALA . 91.5 t -82.66 -58.23 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 27' ' ' PRO . 5.4 mt -43.35 -35.72 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.25 -37.28 22.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 109.35 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.722 HG23 HD12 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -76.1 -43.67 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.35 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 37' ' ' GLU . 2.2 mt-10 -57.04 -41.28 78.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 37' ' ' GLU . . . -65.48 -40.39 93.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.57 HG22 ' HB3' ' A' ' 68' ' ' GLU . 24.4 mt -75.28 -25.11 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.759 HD11 ' HA3' ' A' ' 90' ' ' GLY . 31.1 mt -91.33 -10.99 39.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -68.43 -34.13 75.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -73.6 -58.22 3.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.836 ' HA ' HD12 ' A' ' 42' ' ' LEU . 2.8 p -41.83 -50.79 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.476 ' NE2' ' NZ ' ' A' ' 93' ' ' LYS . 4.9 mm-40 -38.95 -48.51 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.94 -40.73 99.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.44 1.087 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -75.67 -21.13 57.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.278 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 39' ' ' VAL . 33.8 tt0 -74.24 -46.82 39.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -57.14 -29.94 64.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -69.85 -35.99 75.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.942 HG22 HD13 ' A' ' 101' ' ' LEU . 2.8 t -62.42 -67.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' VAL . 20.8 t0 -40.03 -30.25 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.44 ' N ' ' C ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -127.47 47.08 2.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.997 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.644 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 2.5 t80 -99.9 172.46 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.644 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 11.1 pt-20 -178.75 132.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.456 ' C ' ' HG2' ' A' ' 52' ' ' LYS . . . 152.78 -19.57 0.77 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.833 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 1.6 mmmt 85.39 -173.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.601 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 84.7 mttt -83.32 6.53 19.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.78 -26.82 12.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.422 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' HB2' ' C ' ' A' ' 51' ' ' GLY . 22.4 t0 -65.28 136.17 56.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -17.7 10.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -56.79 9.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.601 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 89.2 t80 -51.65 -46.6 63.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.9 mp -56.36 -50.6 71.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.43 -61.18 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.545 HG22 HD22 ' A' ' 101' ' ' LEU . 54.9 mt -45.25 -51.9 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -42.26 -72.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.342 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 4.9 pt-20 -54.22 -45.61 72.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.783 ' HB3' HD13 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -50.32 -33.55 20.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.682 HD23 HG23 ' A' ' 39' ' ' VAL . 9.9 mt -71.49 -47.66 54.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 69' ' ' LEU . 1.5 m -61.87 -38.49 88.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -35.21 -43.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.57 ' HB3' HG22 ' A' ' 35' ' ' ILE . 5.2 mm-40 -75.63 -46.16 33.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.959 HD21 ' HB ' ' A' ' 94' ' ' VAL . 60.6 mt -56.41 -48.67 76.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.847 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -61.3 -44.57 96.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.656 ' N ' HD12 ' A' ' 70' ' ' LEU . . . -72.94 -14.58 61.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.61 HD11 HD21 ' A' ' 36' ' ' LEU . 14.3 mt -84.44 -19.03 34.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -78.78 -22.39 46.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.51 -18.0 58.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.6 t -75.08 113.41 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -108.5 112.82 60.63 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -29.31 8.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.809 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 68.33 12.52 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.48 -29.84 4.4 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -45.41 118.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.51 -54.22 15.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.89 -33.61 7.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.431 HG22 HG23 ' A' ' 29' ' ' VAL . 55.9 t -85.95 -52.3 12.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -49.36 -38.13 27.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' A' ' 87' ' ' ARG . 1.3 tt0 -73.31 -61.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.604 ' CB ' HG13 ' A' ' 29' ' ' VAL . . . -39.91 -31.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.828 ' O ' HG22 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -73.5 -60.72 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -60.16 -33.84 72.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.19 -41.32 61.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.759 ' HA3' HD11 ' A' ' 36' ' ' LEU . . . -68.77 -61.21 4.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.446 1.092 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.828 HG22 ' O ' ' A' ' 87' ' ' ARG . 27.3 m -47.48 -38.81 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 93' ' ' LYS . 1.0 OUTLIER -57.66 -58.2 9.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.476 ' NZ ' ' NE2' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -39.71 -51.19 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.234 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.959 ' HB ' HD21 ' A' ' 69' ' ' LEU . 3.6 t -64.31 -54.25 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 94' ' ' VAL . 48.6 mt-30 -36.97 -62.48 0.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 100' ' ' LYS . 2.8 m -53.98 -57.22 11.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 43.1 mt -48.81 -41.52 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.458 HD12 HD11 ' A' ' 69' ' ' LEU . 1.9 mt -59.79 -50.44 73.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -69.03 -23.57 64.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.518 ' HD3' HG12 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -72.88 -44.24 61.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.942 HD13 HG22 ' A' ' 46' ' ' VAL . 54.9 tp -44.92 -56.39 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 105' ' ' ALA . 31.5 mt-10 -38.13 -66.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -44.74 -36.95 3.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 101' ' ' LEU . 2.8 mmpt? -67.81 -37.87 82.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.833 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -93.46 29.73 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 m -134.28 8.62 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -168.66 159.76 33.01 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -50.21 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.4 t 63.09 164.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.5 m -63.04 155.73 26.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.008 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.54 128.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -134.52 143.72 47.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.12 154.76 6.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.37 -53.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 0.799 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.18 171.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.986 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.623 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . -88.59 -119.56 1.62 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . 168.73 89.63 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 109.255 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 158.21 42.08 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.88 139.85 30.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.51 97.53 0.4 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.416 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 18.1 Cg_endo -75.05 169.33 22.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 12' ' ' PRO . . . 179.5 -173.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.238 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.526 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -176.76 165.37 1.54 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.526 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.04 164.79 32.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.1 -27.59 11.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.96 -177.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.88 74.75 1.01 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.631 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 9.3 pt-20 -110.91 139.22 46.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.777 . . . . 0.0 110.262 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 19' ' ' GLU . . . 168.06 -163.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -38.29 136.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.13 118.76 6.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.81 15.65 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.773 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 122.15 7.0 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.507 1.793 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.33 -169.21 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.501 ' CG ' ' HD2' ' A' ' 27' ' ' PRO . 59.0 t-80 -72.63 141.43 82.54 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.571 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.501 ' HD2' ' CG ' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.07 -34.97 3.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.81 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.476 ' H ' ' CE1' ' A' ' 26' ' ' HIS . . . -51.18 -25.57 11.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.675 HG13 ' HB2' ' A' ' 86' ' ' ALA . 12.4 t -88.73 -47.19 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.753 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.631 HD23 ' N ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -61.73 -29.77 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.79 -33.8 37.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -82.57 -39.68 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.13 -45.63 75.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.28 93.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.723 HG23 ' OE1' ' A' ' 68' ' ' GLU . 67.6 mt -71.41 -41.7 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.714 HD21 HD11 ' A' ' 72' ' ' LEU . 77.0 mt -73.64 -14.0 61.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -34.27 77.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -74.2 -62.36 1.54 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.918 ' HA ' HD12 ' A' ' 42' ' ' LEU . 2.8 p -38.23 -47.34 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -41.85 -53.44 3.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.274 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.98 -29.77 75.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.918 HD12 ' HA ' ' A' ' 39' ' ' VAL . 3.1 mt -80.88 -20.2 42.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.496 ' OE2' ' CE ' ' A' ' 100' ' ' LYS . 4.6 tm-20 -69.8 -51.31 34.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -52.29 -33.42 42.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.38 -36.79 85.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.594 HG22 ' HB2' ' A' ' 101' ' ' LEU . 3.6 t -67.39 -66.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -43.17 -27.87 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -123.99 45.02 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.617 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 14.5 t80 -98.9 171.45 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.617 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 19.4 mt-10 -154.75 136.09 14.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 105' ' ' ALA . . . 135.61 -152.03 20.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.831 ' CA ' ' HB1' ' A' ' 105' ' ' ALA . 5.9 mmmt -132.02 -155.38 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.791 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.628 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 4.7 mtmp? -95.1 16.36 16.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' ASP . 58.9 p -122.06 -42.05 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' THR . 49.5 t0 -39.36 136.36 0.92 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -55.87 -27.94 54.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -62.69 -52.88 61.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.628 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 67.6 t80 -47.36 -45.78 25.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 59' ' ' LEU . 6.2 mp -66.22 -54.44 25.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.605 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 2.3 ttp -43.2 -40.5 3.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.491 HG22 ' CD2' ' A' ' 65' ' ' LEU . 33.1 mt -77.75 -53.13 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.439 ' CD ' ' C ' ' A' ' 62' ' ' GLU . 8.4 tm-20 -36.86 -46.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 64' ' ' TYR . 3.6 pt-20 -70.3 -46.54 64.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.692 ' HB3' HD22 ' A' ' 42' ' ' LEU . 13.7 m-30 -50.81 -44.92 59.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.564 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -65.97 -77.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.633 ' OG1' HD11 ' A' ' 98' ' ' LEU . 1.2 m -35.74 -40.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.399 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -35.23 -50.69 0.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.723 ' OE1' HG23 ' A' ' 35' ' ' ILE . 7.0 mm-40 -69.43 -45.97 67.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.718 HD12 ' HB ' ' A' ' 94' ' ' VAL . 0.3 OUTLIER -42.45 -48.26 5.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.571 HD23 HG22 ' A' ' 66' ' ' THR . 3.8 mm? -67.49 -50.48 58.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.681 ' HB3' HG21 ' A' ' 35' ' ' ILE . . . -57.42 -18.9 20.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.714 HD11 HD21 ' A' ' 36' ' ' LEU . 56.3 mt -81.79 -25.47 35.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -87.54 -31.08 20.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.9 t -60.09 -17.92 43.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.429 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 77.9 t -80.82 128.13 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -109.01 103.38 52.04 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.03 -24.95 12.28 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 77.25 -64.12 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -171.69 32.17 0.13 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -99.53 123.63 43.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 0.801 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.92 -59.75 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -41.9 -36.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.428 ' CG1' ' HB3' ' A' ' 77' ' ' PRO . 39.8 t -82.19 -58.07 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -40.14 -37.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -67.3 -63.89 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.675 ' HB2' HG13 ' A' ' 29' ' ' VAL . . . -40.14 -56.21 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.429 ' NE ' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -49.09 -63.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.33 -57.27 4.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.06 -48.26 67.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.658 ' C ' HD13 ' A' ' 72' ' ' LEU . . . -56.18 -51.65 54.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.537 ' N ' HD13 ' A' ' 72' ' ' LEU . 25.2 t -58.53 -47.3 88.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -63.78 -34.3 77.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.28 -66.96 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.718 ' HB ' HD12 ' A' ' 69' ' ' LEU . 63.6 t -46.75 -55.06 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.355 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.488 ' CG ' HD11 ' A' ' 69' ' ' LEU . 15.2 mt-30 -38.9 -54.51 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.4 m -57.33 -42.13 81.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 94' ' ' VAL . 28.3 mt -66.25 -38.8 82.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.633 HD11 ' OG1' ' A' ' 66' ' ' THR . 8.5 mt -68.24 -36.96 80.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.82 -26.15 54.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.496 ' CE ' ' OE2' ' A' ' 43' ' ' GLU . 22.5 ttpt -70.86 -57.0 5.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.594 ' HB2' HG22 ' A' ' 46' ' ' VAL . 27.7 tp -41.35 -49.13 3.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -41.86 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 107' ' ' GLY . 8.1 mm100 -52.93 -33.92 52.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -61.6 -30.16 70.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.831 ' HB1' ' CA ' ' A' ' 52' ' ' LYS . . . -92.26 -42.26 9.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.7 t -79.46 3.97 16.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 103' ' ' GLN . . . -39.44 160.68 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -64.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.789 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.4 t -140.22 91.5 2.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.974 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.28 160.0 15.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -148.78 120.7 8.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 109.965 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.22 163.78 38.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.36 153.12 26.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.44 -61.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.935 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.19 -63.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.054 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.73 -169.59 35.66 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.0 158.23 5.2 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 156.63 42.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.452 1.764 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.567 ' HB1' ' HG2' ' A' ' 99' ' ' GLU . . . -135.33 171.92 13.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 1.1 tt0 -96.67 140.08 21.96 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 11' ' ' GLU . 18.5 Cg_endo -74.95 177.82 8.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.79 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.625 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . -109.16 -144.34 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.836 ' HB3' ' HD3' ' A' ' 15' ' ' PRO . . . 168.59 -54.57 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.836 ' HD3' ' HB3' ' A' ' 14' ' ' ALA . 18.1 Cg_endo -75.03 143.3 28.79 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.454 1.765 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -131.41 167.98 18.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.64 164.42 6.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -109.31 -68.53 0.61 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 53.12 89.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.279 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.29 10.34 7.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -112.74 153.19 28.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.9 m -145.33 92.01 5.7 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.477 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 18.2 Cg_endo -75.02 162.22 37.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.06 13.87 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.477 ' CE ' ' O ' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -160.61 -132.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.499 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 65.0 t-80 -82.94 139.09 42.85 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.62 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.674 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.01 -35.71 2.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.452 1.764 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.499 ' N ' ' ND1' ' A' ' 26' ' ' HIS . . . -58.08 -34.56 73.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.665 HG13 ' HB2' ' A' ' 86' ' ' ALA . 48.6 t -76.88 -55.89 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 0.731 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 27' ' ' PRO . 5.2 mt -44.35 -35.43 2.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.467 ' HG2' HG12 ' A' ' 75' ' ' VAL . 3.9 tttt -41.08 -33.6 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.983 HG21 ' HB1' ' A' ' 86' ' ' ALA . 1.0 OUTLIER -88.13 -44.17 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.416 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 1.7 mt-10 -51.51 -35.87 42.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.75 -32.94 74.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 1.018 HG23 ' OE1' ' A' ' 68' ' ' GLU . 8.2 mt -82.5 -57.08 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.759 HD12 ' HG2' ' A' ' 93' ' ' LYS . 4.0 mm? -44.76 -36.9 3.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.46 -46.01 73.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -71.73 -45.96 60.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.82 HG21 HG22 ' A' ' 94' ' ' VAL . 72.0 t -44.36 -60.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -38.79 -45.98 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.29 -43.95 89.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.889 ' O ' HG13 ' A' ' 46' ' ' VAL . 30.9 mt -64.6 -53.32 49.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 0.74 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.478 ' O ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -55.71 -30.26 60.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -67.15 -28.94 68.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.12 -34.2 20.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.889 HG13 ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -72.99 -49.0 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.486 ' N ' ' CG2' ' A' ' 46' ' ' VAL . 6.5 t70 -50.38 -24.67 3.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.5 t -133.83 41.51 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.674 ' CD1' ' N ' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -94.68 168.62 10.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.956 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.674 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 2.1 mt-10 -149.17 133.9 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.253 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 138.77 -157.92 24.9 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.143 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.827 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.1 OUTLIER -133.5 -154.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.289 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.58 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 43.9 mttt -91.82 16.53 10.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.0 p -114.02 -42.96 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.353 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.45 121.76 6.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -44.55 36.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.65 -61.81 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.58 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 39.4 t80 -44.7 -49.86 10.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.433 ' N ' HD12 ' A' ' 59' ' ' LEU . 7.4 mp -52.91 -51.0 62.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.564 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.4 ttp -46.2 -45.94 17.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.762 HG22 HD13 ' A' ' 65' ' ' LEU . 38.5 mt -62.69 -66.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 61' ' ' ILE . 5.0 tm-20 -34.24 -62.95 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.55 -61.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.564 ' CD2' ' O ' ' A' ' 60' ' ' MET . 19.3 m-85 -51.62 -49.49 62.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.762 HD13 HG22 ' A' ' 61' ' ' ILE . 10.3 mp -47.64 -73.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' LEU . 3.1 m -50.73 -47.14 59.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.367 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -43.63 -38.74 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 1.018 ' OE1' HG23 ' A' ' 35' ' ' ILE . 67.4 mm-40 -72.72 -39.44 66.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.714 HD12 ' CG1' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -53.13 -52.28 59.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.413 ' N ' HD22 ' A' ' 70' ' ' LEU . 2.3 mm? -57.83 -28.9 64.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.58 -16.28 54.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.841 HD11 HG21 ' A' ' 94' ' ' VAL . 34.2 mt -83.69 -27.81 28.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -97.38 -17.09 19.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.2 t -64.31 -37.04 86.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.027 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.565 ' CG2' ' HD2' ' A' ' 87' ' ' ARG . 11.7 m -62.87 146.09 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -110.96 117.8 49.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.743 ' HA ' HG11 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -74.97 -25.83 11.54 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 65.84 10.11 6.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.239 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 109.79 -26.65 13.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -53.28 110.91 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.769 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 82' ' ' ASP . . . -54.4 -54.1 45.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 81' ' ' ALA . 3.8 m-20 -40.16 -50.32 2.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.743 HG11 ' HA ' ' A' ' 77' ' ' PRO . 61.6 t -61.92 -60.48 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.469 ' HG2' ' CG ' ' A' ' 77' ' ' PRO . 6.0 mtm105 -46.74 -46.54 20.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.361 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -43.52 -63.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.983 ' HB1' HG21 ' A' ' 32' ' ' VAL . . . -59.57 -50.5 73.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.565 ' HD2' ' CG2' ' A' ' 75' ' ' VAL . 0.5 OUTLIER -53.85 -21.1 6.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -96.8 -58.04 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.32 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -53.53 -47.96 69.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.403 ' HA3' HD21 ' A' ' 36' ' ' LEU . . . -54.66 -45.25 78.79 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.541 ' HA ' HD13 ' A' ' 72' ' ' LEU . 7.5 t -57.1 -42.88 80.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 0.771 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -66.73 -33.27 75.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.759 ' HG2' HD12 ' A' ' 36' ' ' LEU . 1.4 tptt -65.92 -51.45 58.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.841 HG21 HD11 ' A' ' 72' ' ' LEU . 86.9 t -61.61 -53.45 48.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -42.78 -59.01 2.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.127 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.4 m -41.42 -47.68 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.589 HD12 ' CG1' ' A' ' 39' ' ' VAL . 68.9 mt -58.07 -52.41 58.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.411 ' HG ' HD23 ' A' ' 65' ' ' LEU . 10.4 mt -48.25 -27.17 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.567 ' HG2' ' HB1' ' A' ' 10' ' ' ALA . 1.7 mt-10 -87.48 -27.79 22.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 97' ' ' ILE . 10.0 ptmt -78.05 -47.16 19.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.605 HD22 ' C ' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -64.13 -62.04 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.425 ' HA ' ' OH ' ' A' ' 58' ' ' TYR . 21.3 mt-10 -37.29 -41.11 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.42 ' CG ' ' HB3' ' A' ' 10' ' ' ALA . 1.8 mm-40 -71.44 -45.2 63.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.525 ' CE ' ' O ' ' A' ' 46' ' ' VAL . 5.4 mmmt -41.23 -48.41 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.827 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -65.2 -50.89 64.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.89 110.65 3.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 98.98 132.81 7.83 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.564 1.165 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 118.62 5.31 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.1 t -129.74 153.16 48.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -55.49 6.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.972 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.546 1.153 . . . . 0.0 111.05 -179.953 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 p -164.68 126.12 2.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -176.14 153.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.46 -177.19 29.99 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.33 164.5 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.789 . . . . 0.0 109.993 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.3 147.94 26.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.74 -164.66 10.1 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.82 104.9 26.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 92' ' ' ARG . 18.2 Cg_endo -74.97 172.24 16.74 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.542 1.812 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.93 171.95 3.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 50.85 92.65 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.429 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 18.1 Cg_endo -75.06 137.46 21.62 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.696 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . 179.07 135.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 13' ' ' ALA . . . 163.24 76.23 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.58 4.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.61 88.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.0 p -134.75 129.84 35.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.26 -77.09 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.83 88.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.763 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.39 145.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -41.98 163.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.1 m -126.35 90.87 49.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.383 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 172.86 15.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 123.83 8.21 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HE2' ' CD2' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -142.66 -126.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.49 ' ND1' ' N ' ' A' ' 28' ' ' GLY . 55.3 t-80 -100.97 136.75 19.69 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.565 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.851 ' HA ' HD12 ' A' ' 30' ' ' LEU . 18.2 Cg_endo -75.03 -38.75 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.777 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.527 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -56.37 -25.42 48.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.738 HG13 ' CB ' ' A' ' 86' ' ' ALA . 42.8 t -85.94 -54.65 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 0.736 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' A' ' 27' ' ' PRO . 4.2 mt -44.11 -35.48 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -50.83 -36.1 35.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.088 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.7 HG21 ' HB1' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -86.29 -46.97 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.46 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 1.7 mt-10 -55.08 -34.26 63.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.79 78.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.7 mt -81.05 -46.41 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.689 HD21 ' HA2' ' A' ' 90' ' ' GLY . 6.6 mt -48.18 -49.81 31.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.42 -36.84 10.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -75.31 -44.74 43.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.822 HG21 HG22 ' A' ' 94' ' ' VAL . 76.8 t -44.63 -61.59 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 39' ' ' VAL . 8.8 mm100 -37.53 -49.52 1.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.91 -45.6 55.84 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.428 1.08 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.674 ' O ' HG13 ' A' ' 46' ' ' VAL . 16.5 mt -62.87 -55.86 22.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.545 ' O ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -55.06 -32.96 62.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.443 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 21.1 mt-30 -63.41 -27.98 69.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 49' ' ' PHE . . . -83.37 -40.57 19.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.977 HG12 HG21 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -65.78 -51.54 60.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.53 ' N ' ' CG2' ' A' ' 46' ' ' VAL . 2.9 t70 -56.97 -22.95 42.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.2 t -125.24 32.67 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.964 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.582 ' CG ' ' N ' ' A' ' 50' ' ' GLU . 5.8 t80 -98.72 168.54 10.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.582 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 1.3 tt0 -150.63 127.2 10.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.63 -154.9 25.84 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.669 ' C ' ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -132.48 -164.46 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.737 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.623 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 14.6 mttt -81.54 3.69 24.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.94 -26.92 10.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 58' ' ' TYR . 52.4 t0 -51.79 128.07 22.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.06 -33.45 65.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -59.64 -54.25 48.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.623 ' CD2' ' HA ' ' A' ' 53' ' ' LYS . 40.9 t80 -46.01 -50.34 15.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 mp -53.6 -52.56 59.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.553 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 7.0 mtp -48.19 -48.43 34.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.977 HG21 HG12 ' A' ' 46' ' ' VAL . 39.9 mt -66.13 -45.41 90.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.4 1.063 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.555 ' HA ' HD12 ' A' ' 65' ' ' LEU . 9.5 tm-20 -54.05 -55.58 26.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -60.74 -37.14 80.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.587 ' HB3' HD22 ' A' ' 42' ' ' LEU . 1.4 m-85 -61.9 -59.87 4.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.727 HD13 ' HA ' ' A' ' 98' ' ' LEU . 5.6 mt -38.43 -40.75 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 69' ' ' LEU . 50.5 m -64.19 -50.63 67.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.428 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.754 ' HA ' HD12 ' A' ' 70' ' ' LEU . 4.9 mttt -38.43 -38.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.598 ' CD ' HD11 ' A' ' 42' ' ' LEU . 22.2 mp0 -83.11 -39.8 20.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.699 HD12 ' CG1' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -63.4 -45.67 89.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.92 HD22 ' C ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -73.2 -33.62 65.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.837 ' N ' HD13 ' A' ' 70' ' ' LEU . . . -71.53 -6.77 43.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.0 mt -95.54 -20.7 18.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -81.49 -26.62 35.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 t -67.51 -13.64 62.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.424 HG12 ' HD2' ' A' ' 87' ' ' ARG . 53.6 t -80.51 130.25 36.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -119.81 113.03 34.75 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.413 ' O ' ' CD ' ' A' ' 80' ' ' ARG . 18.3 Cg_endo -74.98 -35.85 2.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 71.35 8.87 6.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 108.85 59.28 0.53 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.413 ' CD ' ' O ' ' A' ' 77' ' ' PRO . 2.0 mtt180 -140.41 104.17 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 85' ' ' GLN . . . -45.44 -55.7 5.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.67 -61.78 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 28' ' ' GLY . 42.4 t -60.01 -56.82 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 87' ' ' ARG . 28.4 mtt-85 -43.72 -69.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' ARG . 0.9 OUTLIER -38.62 -58.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.738 ' CB ' HG13 ' A' ' 29' ' ' VAL . . . -55.56 -41.99 74.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -58.56 -33.1 69.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.66 -52.99 5.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -42.3 -57.77 2.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.689 ' HA2' HD21 ' A' ' 36' ' ' LEU . . . -54.82 -57.27 18.7 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.426 ' O ' ' CG ' ' A' ' 95' ' ' GLN . 35.3 t -51.39 -41.13 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -61.49 -31.81 71.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.88 -55.8 6.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.822 HG22 HG21 ' A' ' 39' ' ' VAL . 10.8 t -55.14 -43.84 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.657 ' HG2' HD11 ' A' ' 69' ' ' LEU . 4.9 mm-40 -52.93 -56.79 13.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.6 m -52.44 -48.69 65.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.586 HD12 ' CG1' ' A' ' 39' ' ' VAL . 71.8 mt -55.0 -51.5 53.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.727 ' HA ' HD13 ' A' ' 65' ' ' LEU . 1.2 mt -47.15 -40.0 14.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.34 -25.87 58.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 97' ' ' ILE . 28.1 ttpt -70.57 -66.75 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.622 HD22 HG22 ' A' ' 61' ' ' ILE . 14.2 tp -37.37 -47.45 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.9 -66.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -56.14 -32.8 64.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.448 ' HD3' ' O ' ' A' ' 46' ' ' VAL . 1.5 mmpt? -61.53 -34.97 76.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.669 ' HB1' ' C ' ' A' ' 52' ' ' LYS . . . -94.67 44.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 m -141.81 12.44 2.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -175.35 170.42 43.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -50.33 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.0 p -175.74 138.8 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.0 t -131.23 95.5 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.971 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.973 . . . . . . . . 0 0 . 1 stop_ save_